N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide

C16H23NO2S — CID 111113203

IUPACN-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H23NO2S/c1-12(11-20-15-5-3-2-4-6-15)16(19)17-13-7-9-14(18)10-8-13/h2-6,12-14,18H,7-11H2,1H3,(H,17,19)
InChIKeyFDIAAZIKQVFMJR-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.83
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide

N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 111113203) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide
PubChem CID111113203
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(CSc1ccccc1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H23NO2S/c1-12(11-20-15-5-3-2-4-6-15)16(19)17-13-7-9-14(18)10-8-13/h2-6,12-14,18H,7-11H2,1H3,(H,17,19)
InChIKeyFDIAAZIKQVFMJR-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide 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-methyl-3-phenylsulfanyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]propanamide
CID 86935280
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933647
cis-(1R,3S)-3-[[3-(4-fluorophenyl)sulfanyl-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120678506
N-cyclopentyl-2-[4-(2-methyl-3-phenylsulfanylpropanoyl)piperazin-1-yl]propanamide
CID 86935347
N-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86971606
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 111470923
2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
CID 3275959
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821241
N-[4-(dimethylamino)phenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933345
1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 96541637

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide (CID 111113203) is N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide is CC(CSc1ccccc1)C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is FDIAAZIKQVFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12(11-20-15-5-3-2-4-6-15)16(19)17-13-7-9-14(18)10-8-13/h2-6,12-14,18H,7-11H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide?
N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 293.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 111113203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).