N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide

C46H40Cl2F2N8O4S2 — CID 159018582

IUPACN-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H22ClFN4O2S.C22H18ClFN4O2S/c25-17-5-7-21(28-14-17)29-24(32)22-15(8-11-33-22)13-20(31)18-6-4-16(12-19(18)26)23(27)30-9-2-1-3-10-30;1-28-8-7-25-21(28)14-2-4-16(17(24)10-14)18(29)11-13-6-9-31-20(13)22(30)27-19-5-3-15(23)12-26-19/h4-8,11-12,14,27H,1-3,9-10,13H2,(H,28,29,32);2-6,9-10,12H,7-8,11H2,1H3,(H,26,27,30)/b27-23-;
InChIKeyJTKBERAKTZDZHP-FRWNMSGJSA-N
MW941.91 g/mol
LogP9.73
Rot. Bonds12

About N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 159018582) has the molecular formula C46H40Cl2F2N8O4S2 and a molecular weight of 941.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID159018582
Molecular FormulaC46H40Cl2F2N8O4S2
Molecular Weight941.91 g/mol
Exact Mass940.20
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H22ClFN4O2S.C22H18ClFN4O2S/c25-17-5-7-21(28-14-17)29-24(32)22-15(8-11-33-22)13-20(31)18-6-4-16(12-19(18)26)23(27)30-9-2-1-3-10-30;1-28-8-7-25-21(28)14-2-4-16(17(24)10-14)18(29)11-13-6-9-31-20(13)22(30)27-19-5-3-15(23)12-26-19/h4-8,11-12,14,27H,1-3,9-10,13H2,(H,28,29,32);2-6,9-10,12H,7-8,11H2,1H3,(H,26,27,30)/b27-23-;
InChIKeyJTKBERAKTZDZHP-FRWNMSGJSA-N
XLogP9.73
TPSA160.81 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.91
LogP ≤ 59.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide 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

4-chloro-N-[[5-[4-(2,4-difluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159595617
3-[2-(4-carbamimidoyl-2-fluorophenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 158048383
N-(5-chloro-2-pyridinyl)-3-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 158048384
N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
CID 158048385
N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
CID 159018583
N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
CID 159018584
4-chloro-N-[[5-[4-(4-fluorobenzoyl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 87757732
3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;bis(N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide);N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 90748593
N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide
CID 146794041
3-[2-[4-(azepane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 147057950
N-(5-chloro-2-pyridinyl)-3-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide
CID 147620509
N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide
CID 148015781

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide (CID 159018582) is N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide is CN1CCN=C1c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is JTKBERAKTZDZHP-FRWNMSGJSA-N. The full InChI is InChI=1S/C24H22ClFN4O2S.C22H18ClFN4O2S/c25-17-5-7-21(28-14-17)29-24(32)22-15(8-11-33-22)13-20(31)18-6-4-16(12-19(18)26)23(27)30-9-2-1-3-10-30;1-28-8-7-25-21(28)14-2-4-16(17(24)10-14)18(29)11-13-6-9-31-20(13)22(30)27-19-5-3-15(23)12-26-19/h4-8,11-12,14,27H,1-3,9-10,13H2,(H,28,29,32);2-6,9-10,12H,7-8,11H2,1H3,(H,26,27,30)/b27-23-;.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 941.91 g/mol, XLogP of 9.73, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 159018582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).