N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide

C21H21N3O3S — CID 9158549

IUPACN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccnc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-8-9-16(2)19(12-15)28(26,27)20(17-6-5-10-22-13-17)14-24-21(25)18-7-3-4-11-23-18/h3-13,20H,14H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyUHPDONXGFQKROI-FQEVSTJZSA-N
MW395.48 g/mol
LogP3.04
Rot. Bonds6

About N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide (PubChem CID 9158549) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
PubChem CID9158549
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccnc2)c1
InChIInChI=1S/C21H21N3O3S/c1-15-8-9-16(2)19(12-15)28(26,27)20(17-6-5-10-22-13-17)14-24-21(25)18-7-3-4-11-23-18/h3-13,20H,14H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyUHPDONXGFQKROI-FQEVSTJZSA-N
XLogP3.04
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9158318
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9158355
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
CID 9158507
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 9168347
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9155700
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9158307
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 16957784

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide (CID 9158549) is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide is Cc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccccn2)c2cccnc2)c1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
The InChIKey is UHPDONXGFQKROI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-8-9-16(2)19(12-15)28(26,27)20(17-6-5-10-22-13-17)14-24-21(25)18-7-3-4-11-23-18/h3-13,20H,14H2,1-2H3,(H,24,25)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide?
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9158549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).