5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide

C17H18N2O2S — CID 167859278

IUPAC5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(-c2ccc(C(N)=O)s2)cc(C)c1N1CCCC1=O
InChIInChI=1S/C17H18N2O2S/c1-10-8-12(13-5-6-14(22-13)17(18)21)9-11(2)16(10)19-7-3-4-15(19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,21)
InChIKeyQESWKZZNJBGNHC-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.26
Rot. Bonds3

About 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide

5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 167859278) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID167859278
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(-c2ccc(C(N)=O)s2)cc(C)c1N1CCCC1=O
InChIInChI=1S/C17H18N2O2S/c1-10-8-12(13-5-6-14(22-13)17(18)21)9-11(2)16(10)19-7-3-4-15(19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,21)
InChIKeyQESWKZZNJBGNHC-UHFFFAOYSA-N
XLogP3.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide (CID 167859278) is 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide is Cc1cc(-c2ccc(C(N)=O)s2)cc(C)c1N1CCCC1=O.
What is the InChIKey of 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is QESWKZZNJBGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10-8-12(13-5-6-14(22-13)17(18)21)9-11(2)16(10)19-7-3-4-15(19)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,18,21).
What are the key properties of 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 167859278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).