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

C12H13Cl2NOS — CID 115637013

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
SMILESC=C(Cl)CNC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C12H13Cl2NOS/c1-9(13)6-15-12(16)8-17-7-10-2-4-11(14)5-3-10/h2-5H,1,6-8H2,(H,15,16)
InChIKeyZTKPJHTWFCLGID-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.44
Rot. Bonds6

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

2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide (PubChem CID 115637013) has the molecular formula C12H13Cl2NOS and a molecular weight of 290.22 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
PubChem CID115637013
Molecular FormulaC12H13Cl2NOS
Molecular Weight290.22 g/mol
Exact Mass289.01
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
SMILESC=C(Cl)CNC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C12H13Cl2NOS/c1-9(13)6-15-12(16)8-17-7-10-2-4-11(14)5-3-10/h2-5H,1,6-8H2,(H,15,16)
InChIKeyZTKPJHTWFCLGID-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)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

N-(2-chloroprop-2-enyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 113238688
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-[(4-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80710808
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 61261362
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 33295688
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 31322315
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
3-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide
CID 33094692
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(N-methylanilino)ethyl]acetamide
CID 55447419
(2R)-2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 80750189

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide (CID 115637013) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide is C=C(Cl)CNC(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide?
The InChIKey is ZTKPJHTWFCLGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NOS/c1-9(13)6-15-12(16)8-17-7-10-2-4-11(14)5-3-10/h2-5H,1,6-8H2,(H,15,16).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide has a molecular weight of 290.22 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide is sourced from PubChem (CID 115637013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).