2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide

C17H18ClNOS — CID 112778882

IUPAC2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)C(C)Sc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClNOS/c1-3-19(14-9-5-4-6-10-14)17(20)13(2)21-16-12-8-7-11-15(16)18/h4-13H,3H2,1-2H3
InChIKeyVCRZBOGDABWEMW-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.87
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide

2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide (PubChem CID 112778882) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide
PubChem CID112778882
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)C(C)Sc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H18ClNOS/c1-3-19(14-9-5-4-6-10-14)17(20)13(2)21-16-12-8-7-11-15(16)18/h4-13H,3H2,1-2H3
InChIKeyVCRZBOGDABWEMW-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide 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

(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 2673778
N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 84602769
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-phenylpropanamide
CID 2673747
(2S)-N-ethyl-N-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2673980
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 51258457
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952063
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
CID 8842834

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide (CID 112778882) is 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide is CCN(C(=O)C(C)Sc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide?
The InChIKey is VCRZBOGDABWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-3-19(14-9-5-4-6-10-14)17(20)13(2)21-16-12-8-7-11-15(16)18/h4-13H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide?
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide has a molecular weight of 319.86 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 112778882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).