3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide

C17H18ClNO2S — CID 846548

IUPAC3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-2-21-16-6-4-3-5-15(16)19-17(20)11-12-22-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyMXPQFYMXPSVGFC-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.86
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide (PubChem CID 846548) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide
PubChem CID846548
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-2-21-16-6-4-3-5-15(16)19-17(20)11-12-22-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyMXPQFYMXPSVGFC-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide (CID 846548) is 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide?
The InChIKey is MXPQFYMXPSVGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-2-21-16-6-4-3-5-15(16)19-17(20)11-12-22-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide has a molecular weight of 335.86 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 846548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).