N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C20H22N2O3S — CID 97137286

IUPACN-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)c2cc3c(s2)CCCC3)CC1=O
InChIInChI=1S/C20H22N2O3S/c1-25-16-8-4-3-7-15(16)22-12-14(11-19(22)23)21-20(24)18-10-13-6-2-5-9-17(13)26-18/h3-4,7-8,10,14H,2,5-6,9,11-12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyZXZNWTVWFGBENL-CQSZACIVSA-N
MW370.47 g/mol
LogP3.17
Rot. Bonds4

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

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 97137286) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID97137286
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)c2cc3c(s2)CCCC3)CC1=O
InChIInChI=1S/C20H22N2O3S/c1-25-16-8-4-3-7-15(16)22-12-14(11-19(22)23)21-20(24)18-10-13-6-2-5-9-17(13)26-18/h3-4,7-8,10,14H,2,5-6,9,11-12H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyZXZNWTVWFGBENL-CQSZACIVSA-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

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Related Compounds

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119063709
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55339840
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95134783
(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 51584425
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2555251
(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
CID 95123830
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 97137286) is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1ccccc1N1C[C@H](NC(=O)c2cc3c(s2)CCCC3)CC1=O.
What is the InChIKey of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is ZXZNWTVWFGBENL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-16-8-4-3-7-15(16)22-12-14(11-19(22)23)21-20(24)18-10-13-6-2-5-9-17(13)26-18/h3-4,7-8,10,14H,2,5-6,9,11-12H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-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-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 97137286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).