N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide

C81H87N15O12S5 — CID 157134596

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2nc[nH]c2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1
InChIInChI=1S/C21H22N4O3S.2C20H22N4O3S.C20H21N3O3S2/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;25-20(16-6-9-18-19(12-16)23-14-22-18)21-13-15-4-7-17(8-5-15)28(26,27)24-10-2-1-3-11-24;25-20(17-8-12-23-13-9-21-19(23)14-17)22-15-16-4-6-18(7-5-16)28(26,27)24-10-2-1-3-11-24;24-20(18-12-16-8-9-21-14-19(16)27-18)22-13-15-4-6-17(7-5-15)28(25,26)23-10-2-1-3-11-23/h4-11,15H,1-3,12-14H2,(H,23,26);4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23);4-9,12-14H,1-3,10-11,15H2,(H,22,25);4-9,12,14H,1-3,10-11,13H2,(H,22,24)
InChIKeyAJMAHQMZXFBDGR-UHFFFAOYSA-N
MW1623.01 g/mol
LogP11.24
Rot. Bonds20

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 157134596) has the molecular formula C81H87N15O12S5 and a molecular weight of 1623.01 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID157134596
Molecular FormulaC81H87N15O12S5
Molecular Weight1623.01 g/mol
Exact Mass1621.53
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2nc[nH]c2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1
InChIInChI=1S/C21H22N4O3S.2C20H22N4O3S.C20H21N3O3S2/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;25-20(16-6-9-18-19(12-16)23-14-22-18)21-13-15-4-7-17(8-5-15)28(26,27)24-10-2-1-3-11-24;25-20(17-8-12-23-13-9-21-19(23)14-17)22-15-16-4-6-18(7-5-16)28(26,27)24-10-2-1-3-11-24;24-20(18-12-16-8-9-21-14-19(16)27-18)22-13-15-4-6-17(7-5-15)28(25,26)23-10-2-1-3-11-23/h4-11,15H,1-3,12-14H2,(H,23,26);4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23);4-9,12-14H,1-3,10-11,15H2,(H,22,25);4-9,12,14H,1-3,10-11,13H2,(H,22,24)
InChIKeyAJMAHQMZXFBDGR-UHFFFAOYSA-N
XLogP11.24
TPSA350.57 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.01
LogP ≤ 511.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

4-amino-N-[5-[[4-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]thieno[3,2-d]pyrimidine-7-carboxamide;N-[5-[[2-(1,1-difluoroethyl)-4-(4-fluorophenyl)-1H-imidazole-5-carbonyl]amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;4-(4-fluorophenyl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-8-yl)amino]phenyl]-2-methylsulfonyl-1H-imidazole-5-carboxamide;5-(4-fluorophenyl)-1-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-methylsulfonylimidazole-4-carboxamide
CID 161884361
N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperazin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 88919810
N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90013366
5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[4-(dimethylamino)piperidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[3-(dimethylamino)propyl-methylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 157241472
2-(1,3-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1,3-benzothiazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(3-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(4-methylsulfonylphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 157337270
4-[(3S)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;1-phenyl-3-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]urea
CID 157495527
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-phenylquinoxaline-6-carboxamide;2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;(2-methyl-3-phenylquinoxalin-6-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone;(2-methyl-3-phenylquinoxalin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-(2-pyridin-3-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide;N-(2-pyridin-4-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 157502011
6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[2-(dimethylamino)ethylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;ethane;molecular hydrogen;5-piperazin-1-yl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 157588819
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[3,2-c]pyridine-2-carboxamide
CID 157609158
4-[(2-amino-7H-purin-6-yl)amino]benzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]benzamide;4-[(2-aminopyrimidin-4-yl)amino]-N-benzylbenzenesulfonamide;4-[(2-aminopyrimidin-4-yl)amino]-N-phenylbenzenesulfonamide;N-[4-[(2-aminopyrimidin-4-yl)amino]phenyl]sulfonylacetamide;N-[4-[(2-aminopyrimidin-4-yl)amino]phenyl]sulfonylbenzamide;4-(7H-purin-6-ylamino)benzenesulfonamide;pentahydrochloride
CID 157872291
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide;N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157995118
4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
CID 158066226

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 157134596) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2s1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2cnccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2nc[nH]c2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccn2ccnc2c1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is AJMAHQMZXFBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.2C20H22N4O3S.C20H21N3O3S2/c26-21(20-9-6-17-15-22-11-10-19(17)24-20)23-14-16-4-7-18(8-5-16)29(27,28)25-12-2-1-3-13-25;25-20(16-6-9-18-19(12-16)23-14-22-18)21-13-15-4-7-17(8-5-15)28(26,27)24-10-2-1-3-11-24;25-20(17-8-12-23-13-9-21-19(23)14-17)22-15-16-4-6-18(7-5-16)28(26,27)24-10-2-1-3-11-24;24-20(18-12-16-8-9-21-14-19(16)27-18)22-13-15-4-6-17(7-5-15)28(25,26)23-10-2-1-3-11-23/h4-11,15H,1-3,12-14H2,(H,23,26);4-9,12,14H,1-3,10-11,13H2,(H,21,25)(H,22,23);4-9,12-14H,1-3,10-11,15H2,(H,22,25);4-9,12,14H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 1623.01 g/mol, XLogP of 11.24, 20 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 157134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).