N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide

C14H16N2O4S — CID 71892270

IUPACN-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)COC2CCCC2)c1
InChIInChI=1S/C14H16N2O4S/c15-9-11-4-3-7-13(8-11)21(18,19)16-14(17)10-20-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,10H2,(H,16,17)
InChIKeyRLBYGSVPIQQJPR-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.32
Rot. Bonds5

About N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide

N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide (PubChem CID 71892270) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide
PubChem CID71892270
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)COC2CCCC2)c1
InChIInChI=1S/C14H16N2O4S/c15-9-11-4-3-7-13(8-11)21(18,19)16-14(17)10-20-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,10H2,(H,16,17)
InChIKeyRLBYGSVPIQQJPR-UHFFFAOYSA-N
XLogP1.32
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide (CID 71892270) is N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide is N#Cc1cccc(S(=O)(=O)NC(=O)COC2CCCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide?
The InChIKey is RLBYGSVPIQQJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-9-11-4-3-7-13(8-11)21(18,19)16-14(17)10-20-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,10H2,(H,16,17).
What are the key properties of N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide?
N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide has a molecular weight of 308.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-2-cyclopentyloxyacetamide is sourced from PubChem (CID 71892270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).