2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide

C22H22N2O2S2 — CID 7780066

IUPAC2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2S2/c1-24(14-21(25)23-19-9-5-6-10-20(19)27-2)22(26)15-28-18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyNQNZKVRTBUEZLD-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.75
Rot. Bonds7

About 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 7780066) has the molecular formula C22H22N2O2S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID7780066
Molecular FormulaC22H22N2O2S2
Molecular Weight410.56 g/mol
Exact Mass410.11
IUPAC Name2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2S2/c1-24(14-21(25)23-19-9-5-6-10-20(19)27-2)22(26)15-28-18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyNQNZKVRTBUEZLD-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 9208716
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676389
(3S)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-phenylbutanamide
CID 38762946
2-(3-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 38763351
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
2-[[2-(3,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780054
3-indol-1-yl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768085

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide (CID 7780066) is 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is NQNZKVRTBUEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S2/c1-24(14-21(25)23-19-9-5-6-10-20(19)27-2)22(26)15-28-18-12-11-16-7-3-4-8-17(16)13-18/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7780066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).