2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide

C19H22N2O3S2 — CID 24679523

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H22N2O3S2/c1-13-6-7-14(2)17(11-13)25-18-16(5-4-9-20-18)19(22)21(3)15-8-10-26(23,24)12-15/h4-7,9,11,15H,8,10,12H2,1-3H3
InChIKeyGSXPNNQWNOAFGX-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.11
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide

2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide (PubChem CID 24679523) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
PubChem CID24679523
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H22N2O3S2/c1-13-6-7-14(2)17(11-13)25-18-16(5-4-9-20-18)19(22)21(3)15-8-10-26(23,24)12-15/h4-7,9,11,15H,8,10,12H2,1-3H3
InChIKeyGSXPNNQWNOAFGX-UHFFFAOYSA-N
XLogP3.11
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
5-bromo-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylbenzamide
CID 65307183
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416
N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
CID 126425276
N-(1,1-dioxothiolan-3-yl)-N,2,5-trimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 42958266
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 24628486
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide (CID 24679523) is 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide is Cc1ccc(C)c(Sc2ncccc2C(=O)N(C)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is GSXPNNQWNOAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-13-6-7-14(2)17(11-13)25-18-16(5-4-9-20-18)19(22)21(3)15-8-10-26(23,24)12-15/h4-7,9,11,15H,8,10,12H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 24679523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).