N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide

C15H21NO2S — CID 47262934

IUPACN-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(O)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-11(19-14-9-7-13(17)8-10-14)15(18)16-12-5-3-2-4-6-12/h7-12,17H,2-6H2,1H3,(H,16,18)
InChIKeyZQUQTKKTHKYTKQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.32
Rot. Bonds4

About N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide

N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide (PubChem CID 47262934) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
PubChem CID47262934
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(O)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H21NO2S/c1-11(19-14-9-7-13(17)8-10-14)15(18)16-12-5-3-2-4-6-12/h7-12,17H,2-6H2,1H3,(H,16,18)
InChIKeyZQUQTKKTHKYTKQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-(cyclohexylmethyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262938
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
1-cyclopentyl-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea
CID 9428877
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
CID 64665320
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide (CID 47262934) is N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide is CC(Sc1ccc(O)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide?
The InChIKey is ZQUQTKKTHKYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(19-14-9-7-13(17)8-10-14)15(18)16-12-5-3-2-4-6-12/h7-12,17H,2-6H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide?
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide has a molecular weight of 279.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 47262934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).