N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C21H24N2O3S — CID 42932636

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(s2)CCC(C)C3)ccc1N1CCCC1=O
InChIInChI=1S/C21H24N2O3S/c1-13-5-8-18-14(10-13)11-19(27-18)21(25)22-15-6-7-16(17(12-15)26-2)23-9-3-4-20(23)24/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,25)
InChIKeyOPAWHARIHCKADK-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.26
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 42932636) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID42932636
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(s2)CCC(C)C3)ccc1N1CCCC1=O
InChIInChI=1S/C21H24N2O3S/c1-13-5-8-18-14(10-13)11-19(27-18)21(25)22-15-6-7-16(17(12-15)26-2)23-9-3-4-20(23)24/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,25)
InChIKeyOPAWHARIHCKADK-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7914040
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43068303
(5S)-N-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7946283
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
(5R)-5-methyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7962036
N-(2,5-dimethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46797687
(5S)-5-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2526469
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-1-(2-methylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 42394415
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 42932636) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1cc(NC(=O)c2cc3c(s2)CCC(C)C3)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is OPAWHARIHCKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13-5-8-18-14(10-13)11-19(27-18)21(25)22-15-6-7-16(17(12-15)26-2)23-9-3-4-20(23)24/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,25).
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42932636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).