2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide

C19H22N2O4S — CID 18082666

IUPAC2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)12-20-19(23)17-6-4-5-7-18(17)21-26(24,25)16-10-8-15(9-11-16)14(3)22/h4-11,13,21H,12H2,1-3H3,(H,20,23)
InChIKeyCXYHOMLECMSFGU-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.08
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide

2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide (PubChem CID 18082666) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
PubChem CID18082666
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)12-20-19(23)17-6-4-5-7-18(17)21-26(24,25)16-10-8-15(9-11-16)14(3)22/h4-11,13,21H,12H2,1-3H3,(H,20,23)
InChIKeyCXYHOMLECMSFGU-UHFFFAOYSA-N
XLogP3.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 31324731
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
2-[(4-chlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55527722
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 126413403
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide (CID 18082666) is 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is CXYHOMLECMSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(2)12-20-19(23)17-6-4-5-7-18(17)21-26(24,25)16-10-8-15(9-11-16)14(3)22/h4-11,13,21H,12H2,1-3H3,(H,20,23).
What are the key properties of 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide?
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18082666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).