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

C21H23N3O3S — CID 9426335

IUPACN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23N3O3S/c1-23(14-19(25)22-17-9-3-4-10-18(17)28-2)21(27)15-7-5-8-16(13-15)24-12-6-11-20(24)26/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,25)
InChIKeyYUPSXIRVLYGPJJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.25
Rot. Bonds6

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

N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9426335) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9426335
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H23N3O3S/c1-23(14-19(25)22-17-9-3-4-10-18(17)28-2)21(27)15-7-5-8-16(13-15)24-12-6-11-20(24)26/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,25)
InChIKeyYUPSXIRVLYGPJJ-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9162156
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27800522
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 29213246
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9161330
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728238
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9426335) is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is YUPSXIRVLYGPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-23(14-19(25)22-17-9-3-4-10-18(17)28-2)21(27)15-7-5-8-16(13-15)24-12-6-11-20(24)26/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9426335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).