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

C18H20N2O2S — CID 39997103

IUPAC2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)s1
InChIInChI=1S/C18H20N2O2S/c1-12-10-16(13(2)23-12)18(22)19-11-14-5-7-15(8-6-14)20-9-3-4-17(20)21/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,22)
InChIKeyCHKZENGPBWQCOQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.42
Rot. Bonds4

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

2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 39997103) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID39997103
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)s1
InChIInChI=1S/C18H20N2O2S/c1-12-10-16(13(2)23-12)18(22)19-11-14-5-7-15(8-6-14)20-9-3-4-17(20)21/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,22)
InChIKeyCHKZENGPBWQCOQ-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 154845834
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
5-methoxy-2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 146038734
(E)-3-(5-methylthiophen-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589449
3-methyl-4-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588443
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide (CID 39997103) is 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide is Cc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is CHKZENGPBWQCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-10-16(13(2)23-12)18(22)19-11-14-5-7-15(8-6-14)20-9-3-4-17(20)21/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide?
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 39997103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).