4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide

C23H23N3O4S — CID 167793989

IUPAC4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2C)cc1NC(=O)Cc1ccncc1
InChIInChI=1S/C23H23N3O4S/c1-15-7-8-18(14-20(15)25-22(27)13-17-9-11-24-12-10-17)23(28)26-19-5-4-6-21(16(19)2)31(3,29)30/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyULRFLQINGBKZLU-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.54
Rot. Bonds6

About 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide

4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide (PubChem CID 167793989) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide
PubChem CID167793989
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2C)cc1NC(=O)Cc1ccncc1
InChIInChI=1S/C23H23N3O4S/c1-15-7-8-18(14-20(15)25-22(27)13-17-9-11-24-12-10-17)23(28)26-19-5-4-6-21(16(19)2)31(3,29)30/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyULRFLQINGBKZLU-UHFFFAOYSA-N
XLogP3.54
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
3-(methanesulfonamido)-4-methyl-N-(3-methyl-4-pyridinyl)benzamide
CID 56803470
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide?
The IUPAC name of 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide (CID 167793989) is 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2C)cc1NC(=O)Cc1ccncc1.
What is the InChIKey of 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide?
The InChIKey is ULRFLQINGBKZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15-7-8-18(14-20(15)25-22(27)13-17-9-11-24-12-10-17)23(28)26-19-5-4-6-21(16(19)2)31(3,29)30/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide?
4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide is sourced from PubChem (CID 167793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).