2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

C16H23NOS — CID 162671733

IUPAC2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)cc(CSC(C(N)=O)C2CCCC2)c1
InChIInChI=1S/C16H23NOS/c1-11-7-12(2)9-13(8-11)10-19-15(16(17)18)14-5-3-4-6-14/h7-9,14-15H,3-6,10H2,1-2H3,(H2,17,18)
InChIKeyCMLDNIVTJBMRBF-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.58
Rot. Bonds5

About 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (PubChem CID 162671733) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
PubChem CID162671733
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)cc(CSC(C(N)=O)C2CCCC2)c1
InChIInChI=1S/C16H23NOS/c1-11-7-12(2)9-13(8-11)10-19-15(16(17)18)14-5-3-4-6-14/h7-9,14-15H,3-6,10H2,1-2H3,(H2,17,18)
InChIKeyCMLDNIVTJBMRBF-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (CID 162671733) is 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is Cc1cc(C)cc(CSC(C(N)=O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The InChIKey is CMLDNIVTJBMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-7-12(2)9-13(8-11)10-19-15(16(17)18)14-5-3-4-6-14/h7-9,14-15H,3-6,10H2,1-2H3,(H2,17,18).
What are the key properties of 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide has a molecular weight of 277.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 162671733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).