(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C25H27N3O4S2 — CID 51933370

IUPAC(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2C)c1
InChIInChI=1S/C25H27N3O4S2/c1-17-6-3-8-21(14-17)27-34(31,32)23-15-20(11-10-18(23)2)26-24(29)19-7-4-12-28(16-19)25(30)22-9-5-13-33-22/h3,5-6,8-11,13-15,19,27H,4,7,12,16H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyISUCQICUBHBQDF-LJQANCHMSA-N
MW497.64 g/mol
LogP4.66
Rot. Bonds6

About (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 51933370) has the molecular formula C25H27N3O4S2 and a molecular weight of 497.64 g/mol. Its IUPAC name is (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID51933370
Molecular FormulaC25H27N3O4S2
Molecular Weight497.64 g/mol
Exact Mass497.14
IUPAC Name(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2C)c1
InChIInChI=1S/C25H27N3O4S2/c1-17-6-3-8-21(14-17)27-34(31,32)23-15-20(11-10-18(23)2)26-24(29)19-7-4-12-28(16-19)25(30)22-9-5-13-33-22/h3,5-6,8-11,13-15,19,27H,4,7,12,16H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyISUCQICUBHBQDF-LJQANCHMSA-N
XLogP4.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947000
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 39977467
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46422022
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 46489197
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 51933370) is (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2C)c1.
What is the InChIKey of (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ISUCQICUBHBQDF-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N3O4S2/c1-17-6-3-8-21(14-17)27-34(31,32)23-15-20(11-10-18(23)2)26-24(29)19-7-4-12-28(16-19)25(30)22-9-5-13-33-22/h3,5-6,8-11,13-15,19,27H,4,7,12,16H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51933370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).