3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide

C18H20ClNO3S — CID 4143059

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCS(=O)(=O)Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyLXJMDIGZWGFRKU-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.52
Rot. Bonds7

About 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide

3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide (PubChem CID 4143059) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
PubChem CID4143059
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCS(=O)(=O)Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyLXJMDIGZWGFRKU-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
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-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide (CID 4143059) is 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCS(=O)(=O)Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
The InChIKey is LXJMDIGZWGFRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21).
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide?
3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide has a molecular weight of 365.88 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfonyl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 4143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).