N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide

C16H23NO3S — CID 51092327

IUPACN-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H23NO3S/c1-2-21(19,20)12-15(18)17-16(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3,(H,17,18)
InChIKeyCYGJHJVGSYHUKA-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.47
Rot. Bonds6

About N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide

N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide (PubChem CID 51092327) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide
PubChem CID51092327
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H23NO3S/c1-2-21(19,20)12-15(18)17-16(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3,(H,17,18)
InChIKeyCYGJHJVGSYHUKA-UHFFFAOYSA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide (CID 51092327) is N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)NC(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide?
The InChIKey is CYGJHJVGSYHUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-21(19,20)12-15(18)17-16(14-10-6-7-11-14)13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3,(H,17,18).
What are the key properties of N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide?
N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide has a molecular weight of 309.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(phenyl)methyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 51092327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).