(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H18N4O4S2 — CID 9397582

IUPAC(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H18N4O4S2/c22-16(18-12-5-6-13-14(9-12)20-17(23)19-13)11-3-1-7-21(10-11)27(24,25)15-4-2-8-26-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,22)(H2,19,20,23)/t11-/m1/s1
InChIKeyCELZMZPTEQTDRH-LLVKDONJSA-N
MW406.49 g/mol
LogP1.96
Rot. Bonds4

About (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 9397582) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID9397582
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C17H18N4O4S2/c22-16(18-12-5-6-13-14(9-12)20-17(23)19-13)11-3-1-7-21(10-11)27(24,25)15-4-2-8-26-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,22)(H2,19,20,23)/t11-/m1/s1
InChIKeyCELZMZPTEQTDRH-LLVKDONJSA-N
XLogP1.96
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9397559
N-(1H-indazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134037452
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
N-(9H-fluoren-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18268486
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3S)-N-(4-morpholin-4-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41083967
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 9397582) is (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CELZMZPTEQTDRH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c22-16(18-12-5-6-13-14(9-12)20-17(23)19-13)11-3-1-7-21(10-11)27(24,25)15-4-2-8-26-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,22)(H2,19,20,23)/t11-/m1/s1.
What are the key properties of (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 9397582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).