2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide

C16H15ClN2O2S — CID 24569378

IUPAC2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H15ClN2O2S/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyXMAMQOVMYOKYME-UHFFFAOYSA-N
MW334.83 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide (PubChem CID 24569378) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
PubChem CID24569378
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H15ClN2O2S/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyXMAMQOVMYOKYME-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)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

2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 19712403
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
N-[4-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-2,4-dichlorobenzamide
CID 22781798
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide (CID 24569378) is 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
The InChIKey is XMAMQOVMYOKYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-11(22-14-9-7-12(17)8-10-14)15(20)19-16(21)18-13-5-3-2-4-6-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide has a molecular weight of 334.83 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 24569378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).