2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide

C15H21NO3S2 — CID 162652807

IUPAC2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
SMILESCS(=O)(=O)c1ccc(CSC(C(N)=O)C2CCCC2)cc1
InChIInChI=1S/C15H21NO3S2/c1-21(18,19)13-8-6-11(7-9-13)10-20-14(15(16)17)12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3,(H2,16,17)
InChIKeyGADPBOFKKRDDRX-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.37
Rot. Bonds6

About 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide

2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide (PubChem CID 162652807) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
PubChem CID162652807
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide
SMILESCS(=O)(=O)c1ccc(CSC(C(N)=O)C2CCCC2)cc1
InChIInChI=1S/C15H21NO3S2/c1-21(18,19)13-8-6-11(7-9-13)10-20-14(15(16)17)12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3,(H2,16,17)
InChIKeyGADPBOFKKRDDRX-UHFFFAOYSA-N
XLogP2.37
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide (CID 162652807) is 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide is CS(=O)(=O)c1ccc(CSC(C(N)=O)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide?
The InChIKey is GADPBOFKKRDDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-21(18,19)13-8-6-11(7-9-13)10-20-14(15(16)17)12-4-2-3-5-12/h6-9,12,14H,2-5,10H2,1H3,(H2,16,17).
What are the key properties of 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide?
2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide has a molecular weight of 327.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[(4-methylsulfonylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 162652807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).