N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C19H22ClNO3S — CID 4134774

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-15-2-4-17(5-3-15)14-25(23,24)13-11-19(22)21-12-10-16-6-8-18(20)9-7-16/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyCXWYGOXDUSUVKL-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 4134774) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID4134774
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-15-2-4-17(5-3-15)14-25(23,24)13-11-19(22)21-12-10-16-6-8-18(20)9-7-16/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyCXWYGOXDUSUVKL-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 4134774) is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is CXWYGOXDUSUVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-15-2-4-17(5-3-15)14-25(23,24)13-11-19(22)21-12-10-16-6-8-18(20)9-7-16/h2-9H,10-14H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 379.91 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4134774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).