2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide

C15H20ClNOS — CID 774273

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSCc1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H20ClNOS/c16-14-9-5-4-6-12(14)10-19-11-15(18)17-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H,17,18)
InChIKeySSDYDLWOOUVOAX-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.02
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide (PubChem CID 774273) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide
PubChem CID774273
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide
SMILESO=C(CSCc1ccccc1Cl)NC1CCCCC1
InChIInChI=1S/C15H20ClNOS/c16-14-9-5-4-6-12(14)10-19-11-15(18)17-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H,17,18)
InChIKeySSDYDLWOOUVOAX-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide
CID 44398305
(2E)-3-(2-chlorophenyl)-N-cyclohexylprop-2-enamide
CID 692594
2-[(2-chloro-6-fluorobenzyl)thio]-N-(2-phenylethyl)acetamide
CID 961752
2-(2-Chlorophenyl)-1,3-thiazolidin-4-one
CID 3121283
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
2-benzylsulfonyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2210190
3-[(4-chlorophenyl)thio]-N-cyclohexylpropanamide
CID 875307
2-{[(4-Chlorophenyl)methyl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
CID 875589
2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
N-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-3-phenylpropanamide
CID 2210668
3-(2-chlorophenyl)-N-{2-[(4-methylbenzyl)thio]ethyl}acrylamide
CID 2251340
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-phenylacetamide
CID 2278688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide (CID 774273) is 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide is O=C(CSCc1ccccc1Cl)NC1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
The InChIKey is SSDYDLWOOUVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-14-9-5-4-6-12(14)10-19-11-15(18)17-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide has a molecular weight of 297.85 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).