2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide

C22H22N2O2S — CID 1043432

IUPAC2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2S/c1-15-6-5-7-16(2)22(15)24-21(26)14-27-13-20(25)23-19-11-10-17-8-3-4-9-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGHVVLJZDIXUHAD-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.77
Rot. Bonds6

About 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide

2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 1043432) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID1043432
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2S/c1-15-6-5-7-16(2)22(15)24-21(26)14-27-13-20(25)23-19-11-10-17-8-3-4-9-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGHVVLJZDIXUHAD-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide (CID 1043432) is 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide is Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is GHVVLJZDIXUHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-6-5-7-16(2)22(15)24-21(26)14-27-13-20(25)23-19-11-10-17-8-3-4-9-18(17)12-19/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
2-[2-(2,6-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-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 1043432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).