N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C13H16ClNOS — CID 113238688

IUPACN-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESC=C(Cl)CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C13H16ClNOS/c1-10-3-5-12(6-4-10)8-17-9-13(16)15-7-11(2)14/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeySKUOTAFVUQPLKY-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.10
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 113238688) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID113238688
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC NameN-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESC=C(Cl)CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C13H16ClNOS/c1-10-3-5-12(6-4-10)8-17-9-13(16)15-7-11(2)14/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKeySKUOTAFVUQPLKY-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide 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-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
CID 115637013
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 110902360
2-[(4-methylphenyl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726306
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103843449
3-methyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65215453
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
2-[(4-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884995

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 113238688) is N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is C=C(Cl)CNC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is SKUOTAFVUQPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-10-3-5-12(6-4-10)8-17-9-13(16)15-7-11(2)14/h3-6H,2,7-9H2,1H3,(H,15,16).
What are the key properties of N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 269.80 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 113238688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).