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1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H22N2O3S — CID 46921260

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccc(SC)cc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-25-17-7-5-16(6-8-17)22-13-15(11-19(22)23)20(24)21-12-14-3-9-18(26-2)10-4-14/h3-10,15H,11-13H2,1-2H3,(H,21,24)
InChIKeyGFDWTIXHFBCTGA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46921260) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46921260
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccc(SC)cc3)CC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-25-17-7-5-16(6-8-17)22-13-15(11-19(22)23)20(24)21-12-14-3-9-18(26-2)10-4-14/h3-10,15H,11-13H2,1-2H3,(H,21,24)
InChIKeyGFDWTIXHFBCTGA-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46921260) is 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3ccc(SC)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GFDWTIXHFBCTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-17-7-5-16(6-8-17)22-13-15(11-19(22)23)20(24)21-12-14-3-9-18(26-2)10-4-14/h3-10,15H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46921260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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