N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

C22H26N2O3S — CID 25162766

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C22H26N2O3S/c1-23(15-17-9-3-5-11-19(17)27-2)22(26)18-10-4-6-12-20(18)28-16-21(25)24-13-7-8-14-24/h3-6,9-12H,7-8,13-16H2,1-2H3
InChIKeyNPMFEFKZRSRIBR-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.68
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 25162766) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID25162766
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C22H26N2O3S/c1-23(15-17-9-3-5-11-19(17)27-2)22(26)18-10-4-6-12-20(18)28-16-21(25)24-13-7-8-14-24/h3-6,9-12H,7-8,13-16H2,1-2H3
InChIKeyNPMFEFKZRSRIBR-UHFFFAOYSA-N
XLogP3.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 25162766) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is COc1ccccc1CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is NPMFEFKZRSRIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-23(15-17-9-3-5-11-19(17)27-2)22(26)18-10-4-6-12-20(18)28-16-21(25)24-13-7-8-14-24/h3-6,9-12H,7-8,13-16H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 398.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 25162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).