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

C19H22ClNO3S — CID 4139317

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-15-6-8-16(9-7-15)13-21-19(22)10-11-25(23,24)14-17-4-3-5-18(20)12-17/h3-9,12H,2,10-11,13-14H2,1H3,(H,21,22)
InChIKeyLQMZYZQJEBTUHO-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.52
Rot. Bonds8

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

3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide (PubChem CID 4139317) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide
PubChem CID4139317
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-15-6-8-16(9-7-15)13-21-19(22)10-11-25(23,24)14-17-4-3-5-18(20)12-17/h3-9,12H,2,10-11,13-14H2,1H3,(H,21,22)
InChIKeyLQMZYZQJEBTUHO-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide (CID 4139317) is 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide is CCc1ccc(CNC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
The InChIKey is LQMZYZQJEBTUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-2-15-6-8-16(9-7-15)13-21-19(22)10-11-25(23,24)14-17-4-3-5-18(20)12-17/h3-9,12H,2,10-11,13-14H2,1H3,(H,21,22).
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide?
3-[(3-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-[(3-chlorophenyl)methylsulfonyl]-N-[(4-ethylphenyl)methyl]propanamide is sourced from PubChem (CID 4139317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).