N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide

C17H25NO2S — CID 56764303

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c19-16(14-7-3-1-4-8-14)13-18-17(20)11-12-21-15-9-5-2-6-10-15/h2,5-6,9-10,14,16,19H,1,3-4,7-8,11-13H2,(H,18,20)
InChIKeyVOLNTWQERWSLFX-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.23
Rot. Bonds7

About N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide

N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide (PubChem CID 56764303) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
PubChem CID56764303
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCC(O)C1CCCCC1
InChIInChI=1S/C17H25NO2S/c19-16(14-7-3-1-4-8-14)13-18-17(20)11-12-21-15-9-5-2-6-10-15/h2,5-6,9-10,14,16,19H,1,3-4,7-8,11-13H2,(H,18,20)
InChIKeyVOLNTWQERWSLFX-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
N-(2-cyclopentyl-2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 111425991
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 111426294
N-(dicyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 86918327
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
1-[(3-phenylsulfanylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544551

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide (CID 56764303) is N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCC(O)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide?
The InChIKey is VOLNTWQERWSLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c19-16(14-7-3-1-4-8-14)13-18-17(20)11-12-21-15-9-5-2-6-10-15/h2,5-6,9-10,14,16,19H,1,3-4,7-8,11-13H2,(H,18,20).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide?
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide has a molecular weight of 307.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 56764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).