N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide

C17H21NO3S — CID 2983557

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide
SMILESCc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C17H21NO3S/c1-13-6-8-15(9-7-13)18(16-10-11-22(20,21)12-16)17(19)14-4-2-3-5-14/h6-11,14,16H,2-5,12H2,1H3
InChIKeyLVRSHHLGBHIQLO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.83
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide (PubChem CID 2983557) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide
PubChem CID2983557
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide
SMILESCc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C17H21NO3S/c1-13-6-8-15(9-7-13)18(16-10-11-22(20,21)12-16)17(19)14-4-2-3-5-14/h6-11,14,16H,2-5,12H2,1H3
InChIKeyLVRSHHLGBHIQLO-UHFFFAOYSA-N
XLogP2.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide (CID 2983557) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide is Cc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide?
The InChIKey is LVRSHHLGBHIQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-6-8-15(9-7-13)18(16-10-11-22(20,21)12-16)17(19)14-4-2-3-5-14/h6-11,14,16H,2-5,12H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 2983557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).