N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide

C20H20N2O3S2 — CID 9168347

IUPACN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-14-8-9-15(2)18(12-14)27(24,25)19(17-7-5-11-26-17)13-22-20(23)16-6-3-4-10-21-16/h3-12,19H,13H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyPDPXSQKPTSFQPQ-IBGZPJMESA-N
MW400.53 g/mol
LogP3.70
Rot. Bonds6

About N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide (PubChem CID 9168347) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide
PubChem CID9168347
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-14-8-9-15(2)18(12-14)27(24,25)19(17-7-5-11-26-17)13-22-20(23)16-6-3-4-10-21-16/h3-12,19H,13H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyPDPXSQKPTSFQPQ-IBGZPJMESA-N
XLogP3.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9158549
1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9168430
N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 22584011
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693452
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
CID 9158507

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide (CID 9168347) is N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccs2)c1.
What is the InChIKey of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide?
The InChIKey is PDPXSQKPTSFQPQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-14-8-9-15(2)18(12-14)27(24,25)19(17-7-5-11-26-17)13-22-20(23)16-6-3-4-10-21-16/h3-12,19H,13H2,1-2H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide?
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9168347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).