2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

C21H26N2OS — CID 4965445

IUPAC2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H26N2OS/c1-23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)25-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24)
InChIKeyJFHMZHGXQYAMNI-UHFFFAOYSA-N
MW354.52 g/mol
LogP5.04
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4965445) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4965445
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
InChIInChI=1S/C21H26N2OS/c1-23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)25-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24)
InChIKeyJFHMZHGXQYAMNI-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (CID 4965445) is 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is CN(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is JFHMZHGXQYAMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)25-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4965445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).