3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide

C18H20ClNO3S — CID 5068934

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C18H20ClNO3S/c19-17-8-4-7-16(13-17)14-24(22,23)12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21)
InChIKeyILEPTROYPHUEMP-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.00
Rot. Bonds8

About 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide

3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide (PubChem CID 5068934) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
PubChem CID5068934
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C18H20ClNO3S/c19-17-8-4-7-16(13-17)14-24(22,23)12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21)
InChIKeyILEPTROYPHUEMP-UHFFFAOYSA-N
XLogP3.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.00
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-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide (CID 5068934) is 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide is O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCCc1ccccc1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The InChIKey is ILEPTROYPHUEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-17-8-4-7-16(13-17)14-24(22,23)12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21).
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
3-[(3-chlorophenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide has a molecular weight of 365.88 g/mol, XLogP of 3.00, 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 5068934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).