2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide

C20H20N2O3S2 — CID 2202584

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O3S2/c1-22(14-20(23)21-17-8-5-9-18(13-17)26-2)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyYPFLBEFCSAINOT-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.82
Rot. Bonds6

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2202584) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2202584
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O3S2/c1-22(14-20(23)21-17-8-5-9-18(13-17)26-2)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyYPFLBEFCSAINOT-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 166205942
N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 134028890
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 24684358
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide (CID 2202584) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is YPFLBEFCSAINOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-22(14-20(23)21-17-8-5-9-18(13-17)26-2)27(24,25)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2202584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).