2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide

C16H18N2O3S2 — CID 2821375

IUPAC2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c1-18(2)16(19)14-9-6-10-17-15(14)22-11-12-23(20,21)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeySNQUYFPGSBFLBA-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide

2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 2821375) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID2821375
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c1-18(2)16(19)14-9-6-10-17-15(14)22-11-12-23(20,21)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeySNQUYFPGSBFLBA-UHFFFAOYSA-N
XLogP2.35
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
2-[ethyl(phenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 941901
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenylthio)pyridin-3-yl)methanone
CID 24771013
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyridin-3-yl)methanone
CID 24771071
2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
(4-Propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719649
N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201382
N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201383
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
2-(methylsulfanyl)-N-[3-(pyrrolidine-1-sulfonyl)phenyl]pyridine-3-carboxamide
CID 3672825
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide (CID 2821375) is 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1SCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is SNQUYFPGSBFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18(2)16(19)14-9-6-10-17-15(14)22-11-12-23(20,21)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 2821375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).