3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide

C19H22ClNO3S — CID 5122135

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-15-3-5-16(6-4-15)13-21-19(22)11-12-25(23,24)14-17-7-9-18(20)10-8-17/h3-10H,2,11-14H2,1H3,(H,21,22)
InChIKeyRBEXRTHTQXEBOR-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.52
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide

3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide (PubChem CID 5122135) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide
PubChem CID5122135
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-15-3-5-16(6-4-15)13-21-19(22)11-12-25(23,24)14-17-7-9-18(20)10-8-17/h3-10H,2,11-14H2,1H3,(H,21,22)
InChIKeyRBEXRTHTQXEBOR-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide (CID 5122135) is 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide is CCc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
The InChIKey is RBEXRTHTQXEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-2-15-3-5-16(6-4-15)13-21-19(22)11-12-25(23,24)14-17-7-9-18(20)10-8-17/h3-10H,2,11-14H2,1H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide has a molecular weight of 379.91 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide is sourced from PubChem (CID 5122135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).