N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C16H24N2O2S — CID 119474521

IUPACN-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h7-13H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyUGBQXAKKFXGTPR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.56
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 119474521) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID119474521
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h7-13H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyUGBQXAKKFXGTPR-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide 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-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963840
(2S)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963839
2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
CID 79518105
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
N-cyclopropyl-2-[4-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 113371986
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4876781

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 119474521) is N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is UGBQXAKKFXGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h7-13H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 119474521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).