1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H22N2O3S — CID 55587450

IUPAC1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NCc2sccc2C)CC1=O
InChIInChI=1S/C19H22N2O3S/c1-12-4-5-16(24-3)15(8-12)21-11-14(9-18(21)22)19(23)20-10-17-13(2)6-7-25-17/h4-8,14H,9-11H2,1-3H3,(H,20,23)
InChIKeyRMBRVNOWYSDUCO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55587450) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55587450
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1CC(C(=O)NCc2sccc2C)CC1=O
InChIInChI=1S/C19H22N2O3S/c1-12-4-5-16(24-3)15(8-12)21-11-14(9-18(21)22)19(23)20-10-17-13(2)6-7-25-17/h4-8,14H,9-11H2,1-3H3,(H,20,23)
InChIKeyRMBRVNOWYSDUCO-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
1-(2-chlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 134056510
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108788320
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26954643
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17019101
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85002063
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904638
5-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226436
1-(2-methoxy-5-methylphenyl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
CID 17479982

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55587450) is 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)NCc2sccc2C)CC1=O.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RMBRVNOWYSDUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-4-5-16(24-3)15(8-12)21-11-14(9-18(21)22)19(23)20-10-17-13(2)6-7-25-17/h4-8,14H,9-11H2,1-3H3,(H,20,23).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55587450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).