3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide

C20H30N2OS — CID 56525115

IUPAC3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN(C1CCC(C)CC1)C1CC1
InChIInChI=1S/C20H30N2OS/c1-15-7-9-16(10-8-15)22(17-11-12-17)14-13-20(23)21-18-5-3-4-6-19(18)24-2/h3-6,15-17H,7-14H2,1-2H3,(H,21,23)
InChIKeyPHCFIHGGSFZIMW-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.78
Rot. Bonds7

About 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide

3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 56525115) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID56525115
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Name3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCN(C1CCC(C)CC1)C1CC1
InChIInChI=1S/C20H30N2OS/c1-15-7-9-16(10-8-15)22(17-11-12-17)14-13-20(23)21-18-5-3-4-6-19(18)24-2/h3-6,15-17H,7-14H2,1-2H3,(H,21,23)
InChIKeyPHCFIHGGSFZIMW-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
3-[cyclopropyl-[(2-methylsulfanylphenyl)carbamoyl]amino]propanoic acid
CID 107642341
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56525116
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8930682
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide (CID 56525115) is 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCN(C1CCC(C)CC1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is PHCFIHGGSFZIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c1-15-7-9-16(10-8-15)22(17-11-12-17)14-13-20(23)21-18-5-3-4-6-19(18)24-2/h3-6,15-17H,7-14H2,1-2H3,(H,21,23).
What are the key properties of 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide?
3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 346.54 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-methylcyclohexyl)amino]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 56525115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).