N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide

C23H24N2O2S — CID 1322911

IUPACN-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
SMILESCc1cc(C)c(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C23H24N2O2S/c1-15-10-16(2)23(17(3)11-15)25-22(27)14-28-13-21(26)24-20-9-8-18-6-4-5-7-19(18)12-20/h4-12H,13-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAKYFWNAETYPNSR-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.08
Rot. Bonds6

About N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide

N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide (PubChem CID 1322911) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
PubChem CID1322911
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
SMILESCc1cc(C)c(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C23H24N2O2S/c1-15-10-16(2)23(17(3)11-15)25-22(27)14-28-13-21(26)24-20-9-8-18-6-4-5-7-19(18)12-20/h4-12H,13-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyAKYFWNAETYPNSR-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-2-[3-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylpropylsulfanyl]acetamide
CID 4994531
2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
N-naphthalen-2-yl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 40612518
2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333269
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 4008503
S-[2-(naphthalen-2-ylamino)-2-oxoethyl] benzenecarbothioate
CID 2343098
(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 8762275
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide (CID 1322911) is N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide is Cc1cc(C)c(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide?
The InChIKey is AKYFWNAETYPNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-15-10-16(2)23(17(3)11-15)25-22(27)14-28-13-21(26)24-20-9-8-18-6-4-5-7-19(18)12-20/h4-12H,13-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide?
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide has a molecular weight of 392.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 1322911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).