2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide

C22H22N2O2S — CID 4244768

IUPAC2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C22H22N2O2S/c1-15-7-10-20(16(2)11-15)24-22(26)14-27-13-21(25)23-19-9-8-17-5-3-4-6-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCJVNREHIUZKDJP-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.77
Rot. Bonds6

About 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide

2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 4244768) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID4244768
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C22H22N2O2S/c1-15-7-10-20(16(2)11-15)24-22(26)14-27-13-21(25)23-19-9-8-17-5-3-4-6-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCJVNREHIUZKDJP-UHFFFAOYSA-N
XLogP4.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide (CID 4244768) is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is CJVNREHIUZKDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-7-10-20(16(2)11-15)24-22(26)14-27-13-21(25)23-19-9-8-17-5-3-4-6-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 378.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 4244768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).