N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide

C23H25N3O4S2 — CID 46388221

IUPACN-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc1
InChIInChI=1S/C23H25N3O4S2/c1-17-6-3-4-7-21(17)32(28,29)26-19-9-11-20(12-10-19)31-22-13-8-18(16-25-22)23(27)24-14-5-15-30-2/h3-4,6-13,16,26H,5,14-15H2,1-2H3,(H,24,27)
InChIKeyRSSOVJQSYSROLB-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.11
Rot. Bonds10

About N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide

N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide (PubChem CID 46388221) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
PubChem CID46388221
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc1
InChIInChI=1S/C23H25N3O4S2/c1-17-6-3-4-7-21(17)32(28,29)26-19-9-11-20(12-10-19)31-22-13-8-18(16-25-22)23(27)24-14-5-15-30-2/h3-4,6-13,16,26H,5,14-15H2,1-2H3,(H,24,27)
InChIKeyRSSOVJQSYSROLB-UHFFFAOYSA-N
XLogP4.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212
N-butan-2-yl-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388104
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
CID 46388152
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388193
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388198
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide (CID 46388221) is N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide is COCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
The InChIKey is RSSOVJQSYSROLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-17-6-3-4-7-21(17)32(28,29)26-19-9-11-20(12-10-19)31-22-13-8-18(16-25-22)23(27)24-14-5-15-30-2/h3-4,6-13,16,26H,5,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46388221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).