2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide

C17H25NOS — CID 134042023

IUPAC2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSC2CCCCC2)c1
InChIInChI=1S/C17H25NOS/c1-13(2)14-7-6-8-15(11-14)18-17(19)12-20-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyBADOMTOIALCDQK-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.81
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide

2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 134042023) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID134042023
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSC2CCCCC2)c1
InChIInChI=1S/C17H25NOS/c1-13(2)14-7-6-8-15(11-14)18-17(19)12-20-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,18,19)
InChIKeyBADOMTOIALCDQK-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
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2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46670710
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
CID 142203211

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide (CID 134042023) is 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CSC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is BADOMTOIALCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-13(2)14-7-6-8-15(11-14)18-17(19)12-20-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide?
2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 291.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 134042023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).