N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C19H22N2O2S — CID 8749161

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H22N2O2S/c1-14-9-11-24-17(14)13-20(2)19(23)16-7-5-15(6-8-16)12-21-10-3-4-18(21)22/h5-9,11H,3-4,10,12-13H2,1-2H3
InChIKeyZREWQEPHRBYMSI-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 8749161) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID8749161
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C19H22N2O2S/c1-14-9-11-24-17(14)13-20(2)19(23)16-7-5-15(6-8-16)12-21-10-3-4-18(21)22/h5-9,11H,3-4,10,12-13H2,1-2H3
InChIKeyZREWQEPHRBYMSI-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 8749161) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccsc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ZREWQEPHRBYMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-9-11-24-17(14)13-20(2)19(23)16-7-5-15(6-8-16)12-21-10-3-4-18(21)22/h5-9,11H,3-4,10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 342.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 8749161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).