N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide

C17H25NO2S — CID 75384018

IUPACN-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide
SMILESCc1cc(C)cc(CS(=O)CCNC(=O)C2CCCC2)c1
InChIInChI=1S/C17H25NO2S/c1-13-9-14(2)11-15(10-13)12-21(20)8-7-18-17(19)16-5-3-4-6-16/h9-11,16H,3-8,12H2,1-2H3,(H,18,19)
InChIKeyXGUHRDWIKNENLP-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide

N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide (PubChem CID 75384018) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide
PubChem CID75384018
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide
SMILESCc1cc(C)cc(CS(=O)CCNC(=O)C2CCCC2)c1
InChIInChI=1S/C17H25NO2S/c1-13-9-14(2)11-15(10-13)12-21(20)8-7-18-17(19)16-5-3-4-6-16/h9-11,16H,3-8,12H2,1-2H3,(H,18,19)
InChIKeyXGUHRDWIKNENLP-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
3-bromo-N-[2-(cyclohexanecarbonylamino)ethyl]-2-hydroxy-5-methylbenzamide
CID 55959627
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-propylcyclooctanecarboxamide
CID 65022755
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
CID 121133012
N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide
CID 97234847
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115739346

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide (CID 75384018) is N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide is Cc1cc(C)cc(CS(=O)CCNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide?
The InChIKey is XGUHRDWIKNENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-9-14(2)11-15(10-13)12-21(20)8-7-18-17(19)16-5-3-4-6-16/h9-11,16H,3-8,12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide?
N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethylphenyl)methylsulfinyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 75384018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).