N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide

C19H22N2O4S — CID 109062983

IUPACN-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-4-13(2)21-26(24,25)18-7-5-6-16(12-18)19(23)20-17-10-8-15(9-11-17)14(3)22/h5-13,21H,4H2,1-3H3,(H,20,23)
InChIKeyBXZWUFFWUMIISO-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.22
Rot. Bonds7

About N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide

N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide (PubChem CID 109062983) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
PubChem CID109062983
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-4-13(2)21-26(24,25)18-7-5-6-16(12-18)19(23)20-17-10-8-15(9-11-17)14(3)22/h5-13,21H,4H2,1-3H3,(H,20,23)
InChIKeyBXZWUFFWUMIISO-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide (CID 109062983) is N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide is CCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide?
The InChIKey is BXZWUFFWUMIISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-13(2)21-26(24,25)18-7-5-6-16(12-18)19(23)20-17-10-8-15(9-11-17)14(3)22/h5-13,21H,4H2,1-3H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide?
N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(butan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 109062983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).