N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide

C17H20N2O3S — CID 4581682

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-4-17(20)18-14-7-9-15(10-8-14)19-23(21,22)16-11-5-13(2)6-12-16/h5-12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyJHOYAARCSSKALH-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.53
Rot. Bonds6

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide (PubChem CID 4581682) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
PubChem CID4581682
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-4-17(20)18-14-7-9-15(10-8-14)19-23(21,22)16-11-5-13(2)6-12-16/h5-12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyJHOYAARCSSKALH-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide (CID 4581682) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide is CCCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
The InChIKey is JHOYAARCSSKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-4-17(20)18-14-7-9-15(10-8-14)19-23(21,22)16-11-5-13(2)6-12-16/h5-12,19H,3-4H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide has a molecular weight of 332.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide is sourced from PubChem (CID 4581682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).