3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide

C19H22N2O4S — CID 136578574

IUPAC3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-12(2)20-19(23)15-7-10-17(13(3)11-15)21-18(22)14-5-8-16(9-6-14)26(4,24)25/h5-12H,1-4H3,(H,20,23)(H,21,22)
InChIKeyANERAGSMPDEVOQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.79
Rot. Bonds5

About 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide

3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 136578574) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID136578574
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-12(2)20-19(23)15-7-10-17(13(3)11-15)21-18(22)14-5-8-16(9-6-14)26(4,24)25/h5-12H,1-4H3,(H,20,23)(H,21,22)
InChIKeyANERAGSMPDEVOQ-UHFFFAOYSA-N
XLogP2.79
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,4-dimethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043157
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-propan-2-ylbenzamide
CID 99842338
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 86821543
4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide
CID 86821558
methyl 3-methyl-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]benzoate
CID 35249899
methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate
CID 25469548
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 55945032
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide (CID 136578574) is 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is ANERAGSMPDEVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(2)20-19(23)15-7-10-17(13(3)11-15)21-18(22)14-5-8-16(9-6-14)26(4,24)25/h5-12H,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide?
3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylsulfonylbenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 136578574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).