2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide

C16H24N2OS — CID 103902064

IUPAC2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
SMILESCSC1CCCCC1NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-12(16(19)18-13-8-4-3-5-9-13)17-14-10-6-7-11-15(14)20-2/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyJRURMYDDJGIDJV-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.28
Rot. Bonds5

About 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide

2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide (PubChem CID 103902064) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
PubChem CID103902064
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
SMILESCSC1CCCCC1NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-12(16(19)18-13-8-4-3-5-9-13)17-14-10-6-7-11-15(14)20-2/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyJRURMYDDJGIDJV-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
CID 79870022
(2R)-N,N-dimethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 103902988
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
(2S)-2-[[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]-N-phenylpropanamide
CID 124863962
2-(2,3-dihydro-1H-inden-2-ylamino)-N-phenylpropanamide
CID 103830707
2-[(3-methylcyclopentyl)amino]-N-phenylpropanamide
CID 115889728
N-[cyclopropyl(phenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776484
N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 113260733
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
CID 113250285

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide (CID 103902064) is 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide is CSC1CCCCC1NC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide?
The InChIKey is JRURMYDDJGIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(16(19)18-13-8-4-3-5-9-13)17-14-10-6-7-11-15(14)20-2/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide?
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 103902064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).