4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide

C17H20N2O3S — CID 51179900

IUPAC4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-12(2)15-6-4-5-7-16(15)18-17(20)13-8-10-14(11-9-13)19-23(3,21)22/h4-12,19H,1-3H3,(H,18,20)
InChIKeySGOXKJGUJQCWPD-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.43
Rot. Bonds5

About 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide

4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 51179900) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID51179900
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-12(2)15-6-4-5-7-16(15)18-17(20)13-8-10-14(11-9-13)19-23(3,21)22/h4-12,19H,1-3H3,(H,18,20)
InChIKeySGOXKJGUJQCWPD-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-(methylsulfonylmethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 9094036
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049815
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
4-(2-methylpropylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109058952
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide (CID 51179900) is 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is SGOXKJGUJQCWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(2)15-6-4-5-7-16(15)18-17(20)13-8-10-14(11-9-13)19-23(3,21)22/h4-12,19H,1-3H3,(H,18,20).
What are the key properties of 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide?
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 51179900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).