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

C18H20N2O2S — CID 9395109

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H20N2O2S/c1-13-8-10-23-16(13)12-19(2)18(22)14-5-3-6-15(11-14)20-9-4-7-17(20)21/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3
InChIKeyRGFNFBOJQFYKGQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.46
Rot. Bonds4

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

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9395109) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9395109
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H20N2O2S/c1-13-8-10-23-16(13)12-19(2)18(22)14-5-3-6-15(11-14)20-9-4-7-17(20)21/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3
InChIKeyRGFNFBOJQFYKGQ-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 29213246
(E)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 134011628
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8749161
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 55773686
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9162156
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60939384
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78813579

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9395109) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccsc1CN(C)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RGFNFBOJQFYKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-8-10-23-16(13)12-19(2)18(22)14-5-3-6-15(11-14)20-9-4-7-17(20)21/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.46, 4 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]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9395109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).