5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide

C21H20N4O5S — CID 46345779

IUPAC5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c1
InChIInChI=1S/C21H20N4O5S/c1-14(26)23-16-6-8-20(9-7-16)31(28,29)25-18-10-15(12-22-13-18)21(27)24-17-4-3-5-19(11-17)30-2/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyJYKFEGWNAPWNKI-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.10
Rot. Bonds7

About 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 46345779) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID46345779
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC Name5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c1
InChIInChI=1S/C21H20N4O5S/c1-14(26)23-16-6-8-20(9-7-16)31(28,29)25-18-10-15(12-22-13-18)21(27)24-17-4-3-5-19(11-17)30-2/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyJYKFEGWNAPWNKI-UHFFFAOYSA-N
XLogP3.10
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910450
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 20910382
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 46345779) is 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)c1.
What is the InChIKey of 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is JYKFEGWNAPWNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-14(26)23-16-6-8-20(9-7-16)31(28,29)25-18-10-15(12-22-13-18)21(27)24-17-4-3-5-19(11-17)30-2/h3-13,25H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46345779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).