2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide

C17H25NO2S — CID 95629146

IUPAC2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
SMILESCc1c(C[S@](C)=O)cccc1NC(=O)CC1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-13-15(12-21(2)20)9-6-10-16(13)18-17(19)11-14-7-4-3-5-8-14/h6,9-10,14H,3-5,7-8,11-12H2,1-2H3,(H,18,19)/t21-/m0/s1
InChIKeyFQCWODOGBDRPBN-NRFANRHFSA-N
MW307.46 g/mol
LogP3.78
Rot. Bonds5

About 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide

2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide (PubChem CID 95629146) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
PubChem CID95629146
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
SMILESCc1c(C[S@](C)=O)cccc1NC(=O)CC1CCCCC1
InChIInChI=1S/C17H25NO2S/c1-13-15(12-21(2)20)9-6-10-16(13)18-17(19)11-14-7-4-3-5-8-14/h6,9-10,14H,3-5,7-8,11-12H2,1-2H3,(H,18,19)/t21-/m0/s1
InChIKeyFQCWODOGBDRPBN-NRFANRHFSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610
2-(3-chlorophenyl)-N-[2-methyl-3-[[(R)-methylsulfinyl]methyl]phenyl]acetamide
CID 95770774
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
2-methyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-phenylpropanamide
CID 95770743
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
CID 53014832

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide (CID 95629146) is 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide is Cc1c(C[S@](C)=O)cccc1NC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
The InChIKey is FQCWODOGBDRPBN-NRFANRHFSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-15(12-21(2)20)9-6-10-16(13)18-17(19)11-14-7-4-3-5-8-14/h6,9-10,14H,3-5,7-8,11-12H2,1-2H3,(H,18,19)/t21-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide?
2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 95629146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).