4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide

C20H26N2O4S — CID 43018756

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-6-15(3)21-20(23)16-7-9-17(10-8-16)22-27(24,25)19-13-11-18(12-14-19)26-5-2/h7-15,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyMNQMWZACOBBIGQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.80
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide (PubChem CID 43018756) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
PubChem CID43018756
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-6-15(3)21-20(23)16-7-9-17(10-8-16)22-27(24,25)19-13-11-18(12-14-19)26-5-2/h7-15,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyMNQMWZACOBBIGQ-UHFFFAOYSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide 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

4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(hydroxymethyl)-4-methylpentyl]benzamide
CID 119037028
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide (CID 43018756) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The InChIKey is MNQMWZACOBBIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-6-15(3)21-20(23)16-7-9-17(10-8-16)22-27(24,25)19-13-11-18(12-14-19)26-5-2/h7-15,22H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide has a molecular weight of 390.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 43018756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).