2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide

C19H28N2OS — CID 60504497

IUPAC2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(CC2CCCCC2)C2CC2)c1
InChIInChI=1S/C19H28N2OS/c1-23-18-9-5-8-16(12-18)20-19(22)14-21(17-10-11-17)13-15-6-3-2-4-7-15/h5,8-9,12,15,17H,2-4,6-7,10-11,13-14H2,1H3,(H,20,22)
InChIKeyOFNVTGUVIRBSCA-UHFFFAOYSA-N
MW332.51 g/mol
LogP4.39
Rot. Bonds7

About 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide

2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 60504497) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID60504497
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(CC2CCCCC2)C2CC2)c1
InChIInChI=1S/C19H28N2OS/c1-23-18-9-5-8-16(12-18)20-19(22)14-21(17-10-11-17)13-15-6-3-2-4-7-15/h5,8-9,12,15,17H,2-4,6-7,10-11,13-14H2,1H3,(H,20,22)
InChIKeyOFNVTGUVIRBSCA-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 8583796
2-[cyclohexylmethyl(cyclopropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 52684884
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
CID 18588616
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 2665765
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 2665766
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide (CID 60504497) is 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(CC2CCCCC2)C2CC2)c1.
What is the InChIKey of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is OFNVTGUVIRBSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-23-18-9-5-8-16(12-18)20-19(22)14-21(17-10-11-17)13-15-6-3-2-4-7-15/h5,8-9,12,15,17H,2-4,6-7,10-11,13-14H2,1H3,(H,20,22).
What are the key properties of 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 332.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(cyclopropyl)amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 60504497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).