3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide

C14H18ClNO2S — CID 43577284

IUPAC3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)N(CCO)C1CC1
InChIInChI=1S/C14H18ClNO2S/c15-11-1-5-13(6-2-11)19-10-7-14(18)16(8-9-17)12-3-4-12/h1-2,5-6,12,17H,3-4,7-10H2
InChIKeyJKNYRRQGSBDLOU-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.81
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide

3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide (PubChem CID 43577284) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
PubChem CID43577284
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)N(CCO)C1CC1
InChIInChI=1S/C14H18ClNO2S/c15-11-1-5-13(6-2-11)19-10-7-14(18)16(8-9-17)12-3-4-12/h1-2,5-6,12,17H,3-4,7-10H2
InChIKeyJKNYRRQGSBDLOU-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)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

N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 43577392
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
2-[4-(4-chlorophenyl)sulfanylbutanoyl-cyclopropylamino]acetic acid
CID 60826867
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
3-[cyclopropyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanoic acid
CID 60844706
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 43576559
2-[3-(4-chlorophenyl)sulfanylpropanoyl-methylamino]acetic acid
CID 43092152
3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866178
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide (CID 43577284) is 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide is O=C(CCSc1ccc(Cl)cc1)N(CCO)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is JKNYRRQGSBDLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-11-1-5-13(6-2-11)19-10-7-14(18)16(8-9-17)12-3-4-12/h1-2,5-6,12,17H,3-4,7-10H2.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 299.82 g/mol, XLogP of 2.81, 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-cyclopropyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 43577284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).