(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide

C18H20ClNO2S — CID 92676037

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-3-22-17-7-5-4-6-14(17)12-20-18(21)13(2)23-16-10-8-15(19)9-11-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyGFOQLUFAOHINBA-CYBMUJFWSA-N
MW349.88 g/mol
LogP4.54
Rot. Bonds7

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide (PubChem CID 92676037) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
PubChem CID92676037
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-3-22-17-7-5-4-6-14(17)12-20-18(21)13(2)23-16-10-8-15(19)9-11-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyGFOQLUFAOHINBA-CYBMUJFWSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540065
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697
(2S)-2-(4-chlorophenyl)sulfanyl-3-(2-ethoxyphenyl)propanoic acid
CID 100543923
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 55707876
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91267866
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94015798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide (CID 92676037) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide is CCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide?
The InChIKey is GFOQLUFAOHINBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-3-22-17-7-5-4-6-14(17)12-20-18(21)13(2)23-16-10-8-15(19)9-11-16/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide has a molecular weight of 349.88 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 92676037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).