1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H18F2N2O2S — CID 55622766

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C18H18F2N2O2S/c1-11-5-6-25-16(11)10-21(2)18(24)12-7-17(23)22(9-12)15-4-3-13(19)8-14(15)20/h3-6,8,12H,7,9-10H2,1-2H3
InChIKeyMRHWCSIZELRZSB-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55622766) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55622766
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C18H18F2N2O2S/c1-11-5-6-25-16(11)10-21(2)18(24)12-7-17(23)22(9-12)15-4-3-13(19)8-14(15)20/h3-6,8,12H,7,9-10H2,1-2H3
InChIKeyMRHWCSIZELRZSB-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55622766) is 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccsc1CN(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MRHWCSIZELRZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-11-5-6-25-16(11)10-21(2)18(24)12-7-17(23)22(9-12)15-4-3-13(19)8-14(15)20/h3-6,8,12H,7,9-10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55622766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).