N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide

C100H152F3N15O24S9 — CID 158884592

IUPACN-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C18H30N2O6S.C17H29N3O5S2.C17H24N2O3S2.C16H23F3N2O3S.C16H23N3O4S.C16H23N3O3S2/c1-18(2,3)27(22,23)19-10-8-7-9-16(21)20-13-11-14(24-4)17(26-6)15(12-13)25-5;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;1-15(2,3)25(23,24)20-11-5-4-6-14(22)21-13-9-7-12(8-10-13)16(17,18)19;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13/h11-12,19H,7-10H2,1-6H3,(H,20,21);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);7-10,20H,4-6,11H2,1-3H3,(H,21,22);2*7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyJDLPFEPACINEQD-UHFFFAOYSA-N
MW2293.99 g/mol
LogP16.46
Rot. Bonds48

About N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide

N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide (PubChem CID 158884592) has the molecular formula C100H152F3N15O24S9 and a molecular weight of 2293.99 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide
PubChem CID158884592
Molecular FormulaC100H152F3N15O24S9
Molecular Weight2293.99 g/mol
Exact Mass2291.86
IUPAC NameN-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C18H30N2O6S.C17H29N3O5S2.C17H24N2O3S2.C16H23F3N2O3S.C16H23N3O4S.C16H23N3O3S2/c1-18(2,3)27(22,23)19-10-8-7-9-16(21)20-13-11-14(24-4)17(26-6)15(12-13)25-5;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;1-15(2,3)25(23,24)20-11-5-4-6-14(22)21-13-9-7-12(8-10-13)16(17,18)19;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13/h11-12,19H,7-10H2,1-6H3,(H,20,21);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);7-10,20H,4-6,11H2,1-3H3,(H,21,22);2*7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyJDLPFEPACINEQD-UHFFFAOYSA-N
XLogP16.46
TPSA578.39 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds48
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002293.99
LogP ≤ 516.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide (CID 158884592) is N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide?
The InChIKey is JDLPFEPACINEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6S.C17H29N3O5S2.C17H24N2O3S2.C16H23F3N2O3S.C16H23N3O4S.C16H23N3O3S2/c1-18(2,3)27(22,23)19-10-8-7-9-16(21)20-13-11-14(24-4)17(26-6)15(12-13)25-5;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;1-15(2,3)25(23,24)20-11-5-4-6-14(22)21-13-9-7-12(8-10-13)16(17,18)19;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13/h11-12,19H,7-10H2,1-6H3,(H,20,21);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);7-10,20H,4-6,11H2,1-3H3,(H,21,22);2*7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide?
N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide has a molecular weight of 2293.99 g/mol, XLogP of 16.46, 48 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide is sourced from PubChem (CID 158884592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).