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

C22H23Cl2N3O3S — CID 24817862

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C22H23Cl2N3O3S/c1-26(13-19(28)25-21-16(23)8-6-9-17(21)24)22(30)15-7-2-3-10-18(15)31-14-20(29)27-11-4-5-12-27/h2-3,6-10H,4-5,11-14H2,1H3,(H,25,28)
InChIKeyCNULZFCRPZUBGH-UHFFFAOYSA-N
MW480.42 g/mol
LogP4.42
Rot. Bonds7

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

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (PubChem CID 24817862) has the molecular formula C22H23Cl2N3O3S and a molecular weight of 480.42 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
PubChem CID24817862
Molecular FormulaC22H23Cl2N3O3S
Molecular Weight480.42 g/mol
Exact Mass479.08
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1
InChIInChI=1S/C22H23Cl2N3O3S/c1-26(13-19(28)25-21-16(23)8-6-9-17(21)24)22(30)15-7-2-3-10-18(15)31-14-20(29)27-11-4-5-12-27/h2-3,6-10H,4-5,11-14H2,1H3,(H,25,28)
InChIKeyCNULZFCRPZUBGH-UHFFFAOYSA-N
XLogP4.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 54.42
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-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide (CID 24817862) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
The InChIKey is CNULZFCRPZUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3S/c1-26(13-19(28)25-21-16(23)8-6-9-17(21)24)22(30)15-7-2-3-10-18(15)31-14-20(29)27-11-4-5-12-27/h2-3,6-10H,4-5,11-14H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide has a molecular weight of 480.42 g/mol, XLogP of 4.42, 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-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 24817862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).