4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide

C17H20N2O3S — CID 961836

IUPAC4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-12(2)18-17(20)14-10-9-13(3)16(11-14)23(21,22)19-15-7-5-4-6-8-15/h4-12,19H,1-3H3,(H,18,20)
InChIKeyOCBYJKSFHPETFQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.93
Rot. Bonds5

About 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide

4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide (PubChem CID 961836) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
PubChem CID961836
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-12(2)18-17(20)14-10-9-13(3)16(11-14)23(21,22)19-15-7-5-4-6-8-15/h4-12,19H,1-3H3,(H,18,20)
InChIKeyOCBYJKSFHPETFQ-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 133163076
N-(1-methoxypropan-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132702510

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide (CID 961836) is 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide is Cc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide?
The InChIKey is OCBYJKSFHPETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(2)18-17(20)14-10-9-13(3)16(11-14)23(21,22)19-15-7-5-4-6-8-15/h4-12,19H,1-3H3,(H,18,20).
What are the key properties of 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide?
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 961836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).