N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide

C17H26N2OS — CID 64648574

IUPACN-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
SMILESCCC1CCC(NC)C(Sc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C17H26N2OS/c1-4-13-5-10-16(18-3)17(11-13)21-15-8-6-14(7-9-15)19-12(2)20/h6-9,13,16-18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyCODXMAORZMFDJA-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.90
Rot. Bonds5

About N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide

N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide (PubChem CID 64648574) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
PubChem CID64648574
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC NameN-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
SMILESCCC1CCC(NC)C(Sc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C17H26N2OS/c1-4-13-5-10-16(18-3)17(11-13)21-15-8-6-14(7-9-15)19-12(2)20/h6-9,13,16-18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyCODXMAORZMFDJA-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide (CID 64648574) is N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide is CCC1CCC(NC)C(Sc2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide?
The InChIKey is CODXMAORZMFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-13-5-10-16(18-3)17(11-13)21-15-8-6-14(7-9-15)19-12(2)20/h6-9,13,16-18H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide?
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide has a molecular weight of 306.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 64648574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).