N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide

C18H21N3O4S — CID 27648936

IUPACN-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-12(2)21-26(24,25)17-10-4-14(5-11-17)18(23)20-16-8-6-15(7-9-16)19-13(3)22/h4-12,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyHENBDBHOLXUYDN-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.58
Rot. Bonds6

About N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 27648936) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID27648936
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O4S/c1-12(2)21-26(24,25)17-10-4-14(5-11-17)18(23)20-16-8-6-15(7-9-16)19-13(3)22/h4-12,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyHENBDBHOLXUYDN-UHFFFAOYSA-N
XLogP2.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260747
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
(2R)-2-(4-acetylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7763890
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 27648936) is N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HENBDBHOLXUYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12(2)21-26(24,25)17-10-4-14(5-11-17)18(23)20-16-8-6-15(7-9-16)19-13(3)22/h4-12,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 27648936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).