N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

C24H29N3O3S — CID 24981967

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C24H29N3O3S/c1-17-9-8-10-18(2)23(17)25-21(28)15-26(3)24(30)19-11-4-5-12-20(19)31-16-22(29)27-13-6-7-14-27/h4-5,8-12H,6-7,13-16H2,1-3H3,(H,25,28)
InChIKeyIMDZPHVWUMTUHV-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 24981967) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID24981967
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C24H29N3O3S/c1-17-9-8-10-18(2)23(17)25-21(28)15-26(3)24(30)19-11-4-5-12-20(19)31-16-22(29)27-13-6-7-14-27/h4-5,8-12H,6-7,13-16H2,1-3H3,(H,25,28)
InChIKeyIMDZPHVWUMTUHV-UHFFFAOYSA-N
XLogP3.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 24981967) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is IMDZPHVWUMTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-17-9-8-10-18(2)23(17)25-21(28)15-26(3)24(30)19-11-4-5-12-20(19)31-16-22(29)27-13-6-7-14-27/h4-5,8-12H,6-7,13-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 439.58 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 24981967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).