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

C23H25N3O3S2 — CID 46388101

IUPACN-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1
InChIInChI=1S/C23H25N3O3S2/c1-4-17(3)25-23(27)18-7-14-22(24-15-18)30-20-10-8-19(9-11-20)26-31(28,29)21-12-5-16(2)6-13-21/h5-15,17,26H,4H2,1-3H3,(H,25,27)
InChIKeyCLNPHRWFNRBPMI-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.87
Rot. Bonds8

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

N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide (PubChem CID 46388101) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
PubChem CID46388101
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1
InChIInChI=1S/C23H25N3O3S2/c1-4-17(3)25-23(27)18-7-14-22(24-15-18)30-20-10-8-19(9-11-20)26-31(28,29)21-12-5-16(2)6-13-21/h5-15,17,26H,4H2,1-3H3,(H,25,27)
InChIKeyCLNPHRWFNRBPMI-UHFFFAOYSA-N
XLogP4.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 92883059
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-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
N-ethyl-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 46388143
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 46388212
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
propyl (2S)-2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516347
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide (CID 46388101) is N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide is CCC(C)NC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc1.
What is the InChIKey of N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
The InChIKey is CLNPHRWFNRBPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-4-17(3)25-23(27)18-7-14-22(24-15-18)30-20-10-8-19(9-11-20)26-31(28,29)21-12-5-16(2)6-13-21/h5-15,17,26H,4H2,1-3H3,(H,25,27).
What are the key properties of N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide?
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46388101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).