N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide

C16H24N2OS — CID 62722965

IUPACN-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide
SMILESCC1CCCC(SC(C)C(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C16H24N2OS/c1-11-4-3-5-15(10-11)20-12(2)16(19)18-14-8-6-13(17)7-9-14/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19)
InChIKeyPOMNHGQAJTYICZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.91
Rot. Bonds4

About N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide

N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide (PubChem CID 62722965) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide
PubChem CID62722965
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide
SMILESCC1CCCC(SC(C)C(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C16H24N2OS/c1-11-4-3-5-15(10-11)20-12(2)16(19)18-14-8-6-13(17)7-9-14/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19)
InChIKeyPOMNHGQAJTYICZ-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-cyclopentylsulfanylpropanamide
CID 7395629
4-[[(2R)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825696
4-[[(2S)-2-cyclopentylsulfanylpropanoyl]amino]benzamide
CID 7825695
(2S)-N-(4-chlorophenyl)-2-cyclopentylsulfanylpropanamide
CID 7398220
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63214737
4-(3-methylcyclohexyl)sulfanylaniline
CID 62722234
(2S)-2-cyclopentylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7825678
1-(4-methoxyphenyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-one
CID 62722982
N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide (CID 62722965) is N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide is CC1CCCC(SC(C)C(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide?
The InChIKey is POMNHGQAJTYICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-4-3-5-15(10-11)20-12(2)16(19)18-14-8-6-13(17)7-9-14/h6-9,11-12,15H,3-5,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide?
N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-methylcyclohexyl)sulfanylpropanamide is sourced from PubChem (CID 62722965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).