2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide

C17H24ClNOS2 — CID 126033785

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESO=C(CSCc1ccccc1Cl)NCCSC1CCCCC1
InChIInChI=1S/C17H24ClNOS2/c18-16-9-5-4-6-14(16)12-21-13-17(20)19-10-11-22-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,19,20)
InChIKeyGRTYOQAMVLRCES-UHFFFAOYSA-N
MW357.97 g/mol
LogP4.76
Rot. Bonds8

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide (PubChem CID 126033785) has the molecular formula C17H24ClNOS2 and a molecular weight of 357.97 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
PubChem CID126033785
Molecular FormulaC17H24ClNOS2
Molecular Weight357.97 g/mol
Exact Mass357.10
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESO=C(CSCc1ccccc1Cl)NCCSC1CCCCC1
InChIInChI=1S/C17H24ClNOS2/c18-16-9-5-4-6-14(16)12-21-13-17(20)19-10-11-22-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,19,20)
InChIKeyGRTYOQAMVLRCES-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)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-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
1-(2-chlorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139677
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
2-[(2-chlorophenyl)methylsulfanyl]-N-prop-2-enylacetamide
CID 78786831
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767479
N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
CID 100517797
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
N-(2-cyclohexylsulfanylethyl)-3-(3,4-dichlorophenyl)propanamide
CID 100594412
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 93491132
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9210377

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide (CID 126033785) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide is O=C(CSCc1ccccc1Cl)NCCSC1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide?
The InChIKey is GRTYOQAMVLRCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNOS2/c18-16-9-5-4-6-14(16)12-21-13-17(20)19-10-11-22-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13H2,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide has a molecular weight of 357.97 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-cyclohexylsulfanylethyl)acetamide is sourced from PubChem (CID 126033785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).