N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide

C19H20N2O2S — CID 42142736

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-12-14(9-10-16(13)21-11-5-8-18(21)22)20-19(23)15-6-3-4-7-17(15)24-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,23)
InChIKeyJIWGCKSIIZRFBS-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.10
Rot. Bonds4

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide (PubChem CID 42142736) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
PubChem CID42142736
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1
InChIInChI=1S/C19H20N2O2S/c1-13-12-14(9-10-16(13)21-11-5-8-18(21)22)20-19(23)15-6-3-4-7-17(15)24-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,23)
InChIKeyJIWGCKSIIZRFBS-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 7686563
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 7686624
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide (CID 42142736) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide?
The InChIKey is JIWGCKSIIZRFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-12-14(9-10-16(13)21-11-5-8-18(21)22)20-19(23)15-6-3-4-7-17(15)24-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 42142736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).