N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

C141H156ClF3N26O16S6 — CID 158111739

IUPACN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESCCN(C(=O)CN1CCN(C(=O)c2ccccc2SCc2cc(C)on2)CC1)c1ccc(C)cc1.Cc1cc(CSc2ccccc2C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)on1.Cc1cc(CSc2ccccc2C(=O)NCCNc2ncccn2)on1.Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(C)c1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)nc1
InChIInChI=1S/C27H32N4O3S.2C26H30N4O3S.C24H27N5O3S.C20H18ClF3N4O2S.C18H19N5O2S/c1-4-31(23-11-9-20(2)10-12-23)26(32)18-29-13-15-30(16-14-29)27(33)24-7-5-6-8-25(24)35-19-22-17-21(3)34-28-22;1-18-8-9-23(19(2)14-18)27-25(31)16-29-10-12-30(13-11-29)26(32)22-6-4-5-7-24(22)34-17-21-15-20(3)33-28-21;1-19-7-9-21(10-8-19)16-27-25(31)17-29-11-13-30(14-12-29)26(32)23-5-3-4-6-24(23)34-18-22-15-20(2)33-28-22;1-17-7-8-22(25-14-17)26-23(30)15-28-9-11-29(12-10-28)24(31)20-5-3-4-6-21(20)33-16-19-13-18(2)32-27-19;1-12-8-14(30-28-12)11-31-17-5-3-2-4-15(17)19(29)26-7-6-25-18-16(21)9-13(10-27-18)20(22,23)24;1-13-11-14(25-23-13)12-26-16-6-3-2-5-15(16)17(24)19-9-10-22-18-20-7-4-8-21-18/h5-12,17H,4,13-16,18-19H2,1-3H3;4-9,14-15H,10-13,16-17H2,1-3H3,(H,27,31);3-10,15H,11-14,16-18H2,1-2H3,(H,27,31);3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,26,30);2-5,8-10H,6-7,11H2,1H3,(H,25,27)(H,26,29);2-8,11H,9-10,12H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyFQNDKLMSHJFRJQ-UHFFFAOYSA-N
MW2755.81 g/mol
LogP23.81
Rot. Bonds46

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 158111739) has the molecular formula C141H156ClF3N26O16S6 and a molecular weight of 2755.81 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
PubChem CID158111739
Molecular FormulaC141H156ClF3N26O16S6
Molecular Weight2755.81 g/mol
Exact Mass2753.02
IUPAC NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESCCN(C(=O)CN1CCN(C(=O)c2ccccc2SCc2cc(C)on2)CC1)c1ccc(C)cc1.Cc1cc(CSc2ccccc2C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)on1.Cc1cc(CSc2ccccc2C(=O)NCCNc2ncccn2)on1.Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(C)c1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)nc1
InChIInChI=1S/C27H32N4O3S.2C26H30N4O3S.C24H27N5O3S.C20H18ClF3N4O2S.C18H19N5O2S/c1-4-31(23-11-9-20(2)10-12-23)26(32)18-29-13-15-30(16-14-29)27(33)24-7-5-6-8-25(24)35-19-22-17-21(3)34-28-22;1-18-8-9-23(19(2)14-18)27-25(31)16-29-10-12-30(13-11-29)26(32)22-6-4-5-7-24(22)34-17-21-15-20(3)33-28-21;1-19-7-9-21(10-8-19)16-27-25(31)17-29-11-13-30(14-12-29)26(32)23-5-3-4-6-24(23)34-18-22-15-20(2)33-28-22;1-17-7-8-22(25-14-17)26-23(30)15-28-9-11-29(12-10-28)24(31)20-5-3-4-6-21(20)33-16-19-13-18(2)32-27-19;1-12-8-14(30-28-12)11-31-17-5-3-2-4-15(17)19(29)26-7-6-25-18-16(21)9-13(10-27-18)20(22,23)24;1-13-11-14(25-23-13)12-26-16-6-3-2-5-15(16)17(24)19-9-10-22-18-20-7-4-8-21-18/h5-12,17H,4,13-16,18-19H2,1-3H3;4-9,14-15H,10-13,16-17H2,1-3H3,(H,27,31);3-10,15H,11-14,16-18H2,1-2H3,(H,27,31);3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,26,30);2-5,8-10H,6-7,11H2,1H3,(H,25,27)(H,26,29);2-8,11H,9-10,12H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyFQNDKLMSHJFRJQ-UHFFFAOYSA-N
XLogP23.81
TPSA491.81 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002755.81
LogP ≤ 523.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carbonitrile;4-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;5-methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole;5-methyl-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazole;2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine;2-(2-thiophen-2-ylpyrrolidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 159392902
CID 160385382
CID 160385382
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 160614073
[4-(5-Chloro-2-pyridinyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone;[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone;[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone
CID 132259204
N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 161187150

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (CID 158111739) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is CCN(C(=O)CN1CCN(C(=O)c2ccccc2SCc2cc(C)on2)CC1)c1ccc(C)cc1.Cc1cc(CSc2ccccc2C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)on1.Cc1cc(CSc2ccccc2C(=O)NCCNc2ncccn2)on1.Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(C)c1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)nc1.
What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
The InChIKey is FQNDKLMSHJFRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S.2C26H30N4O3S.C24H27N5O3S.C20H18ClF3N4O2S.C18H19N5O2S/c1-4-31(23-11-9-20(2)10-12-23)26(32)18-29-13-15-30(16-14-29)27(33)24-7-5-6-8-25(24)35-19-22-17-21(3)34-28-22;1-18-8-9-23(19(2)14-18)27-25(31)16-29-10-12-30(13-11-29)26(32)22-6-4-5-7-24(22)34-17-21-15-20(3)33-28-21;1-19-7-9-21(10-8-19)16-27-25(31)17-29-11-13-30(14-12-29)26(32)23-5-3-4-6-24(23)34-18-22-15-20(2)33-28-22;1-17-7-8-22(25-14-17)26-23(30)15-28-9-11-29(12-10-28)24(31)20-5-3-4-6-21(20)33-16-19-13-18(2)32-27-19;1-12-8-14(30-28-12)11-31-17-5-3-2-4-15(17)19(29)26-7-6-25-18-16(21)9-13(10-27-18)20(22,23)24;1-13-11-14(25-23-13)12-26-16-6-3-2-5-15(16)17(24)19-9-10-22-18-20-7-4-8-21-18/h5-12,17H,4,13-16,18-19H2,1-3H3;4-9,14-15H,10-13,16-17H2,1-3H3,(H,27,31);3-10,15H,11-14,16-18H2,1-2H3,(H,27,31);3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,26,30);2-5,8-10H,6-7,11H2,1H3,(H,25,27)(H,26,29);2-8,11H,9-10,12H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 2755.81 g/mol, XLogP of 23.81, 46 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;N-ethyl-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 158111739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).