N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide

C22H21N3O4S — CID 20960022

IUPACN-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1
InChIInChI=1S/C22H21N3O4S/c1-14-7-8-21(15(2)9-14)30(28,29)25-20-11-18(12-23-13-20)22(27)24-19-6-4-5-17(10-19)16(3)26/h4-13,25H,1-3H3,(H,24,27)
InChIKeyUJYYXPTXCJEQIO-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.95
Rot. Bonds6

About N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide

N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 20960022) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID20960022
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1
InChIInChI=1S/C22H21N3O4S/c1-14-7-8-21(15(2)9-14)30(28,29)25-20-11-18(12-23-13-20)22(27)24-19-6-4-5-17(10-19)16(3)26/h4-13,25H,1-3H3,(H,24,27)
InChIKeyUJYYXPTXCJEQIO-UHFFFAOYSA-N
XLogP3.95
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960008
N-(2,6-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960015
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960019
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 7161193
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 46345779

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide (CID 20960022) is N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is UJYYXPTXCJEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-14-7-8-21(15(2)9-14)30(28,29)25-20-11-18(12-23-13-20)22(27)24-19-6-4-5-17(10-19)16(3)26/h4-13,25H,1-3H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 20960022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).