N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H22N2O3S — CID 118770996

IUPACN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(N2CC(NC(=O)c3csc4c3CCCC4)CC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-25-15-8-6-14(7-9-15)22-11-13(10-19(22)23)21-20(24)17-12-26-18-5-3-2-4-16(17)18/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,24)
InChIKeyVHTRMPMJIZYEBY-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.17
Rot. Bonds4

About N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 118770996) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID118770996
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOc1ccc(N2CC(NC(=O)c3csc4c3CCCC4)CC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-25-15-8-6-14(7-9-15)22-11-13(10-19(22)23)21-20(24)17-12-26-18-5-3-2-4-16(17)18/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,24)
InChIKeyVHTRMPMJIZYEBY-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
2,3-dimethoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548524
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 124846980
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 125164428
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide
CID 92613955
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
CID 7548609

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 118770996) is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COc1ccc(N2CC(NC(=O)c3csc4c3CCCC4)CC2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is VHTRMPMJIZYEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-15-8-6-14(7-9-15)22-11-13(10-19(22)23)21-20(24)17-12-26-18-5-3-2-4-16(17)18/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,24).
What are the key properties of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 118770996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).