2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide

C17H25NO2S — CID 111537938

IUPAC2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
SMILESCSCCc1ccc(NC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-21-12-9-14-5-7-15(8-6-14)18-16(19)13-17(20)10-3-2-4-11-17/h5-8,20H,2-4,9-13H2,1H3,(H,18,19)
InChIKeyQOSVFGSKPRCUFI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.62
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide

2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide (PubChem CID 111537938) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
PubChem CID111537938
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
SMILESCSCCc1ccc(NC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-21-12-9-14-5-7-15(8-6-14)18-16(19)13-17(20)10-3-2-4-11-17/h5-8,20H,2-4,9-13H2,1H3,(H,18,19)
InChIKeyQOSVFGSKPRCUFI-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]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

1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119315486
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
CID 119769572
2-(1-hydroxycyclohexyl)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 138042895
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
CID 119769599
2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
CID 111538363
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride
CID 120562087
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide (CID 111537938) is 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide is CSCCc1ccc(NC(=O)CC2(O)CCCCC2)cc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide?
The InChIKey is QOSVFGSKPRCUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-21-12-9-14-5-7-15(8-6-14)18-16(19)13-17(20)10-3-2-4-11-17/h5-8,20H,2-4,9-13H2,1H3,(H,18,19).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide is sourced from PubChem (CID 111537938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).