2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide

C21H22N2O3S — CID 22299930

IUPAC2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(CS(=O)(=O)NCC(=O)Nc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-10-11-18(16(2)12-15)14-27(25,26)22-13-21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-12,22H,13-14H2,1-2H3,(H,23,24)
InChIKeyUCSQKAFJOMZKLS-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.51
Rot. Bonds6

About 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide

2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide (PubChem CID 22299930) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide
PubChem CID22299930
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide
SMILESCc1ccc(CS(=O)(=O)NCC(=O)Nc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-10-11-18(16(2)12-15)14-27(25,26)22-13-21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-12,22H,13-14H2,1-2H3,(H,23,24)
InChIKeyUCSQKAFJOMZKLS-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 22300215
2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 22299913
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide
CID 119048650
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide (CID 22299930) is 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide is Cc1ccc(CS(=O)(=O)NCC(=O)Nc2cccc3ccccc23)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is UCSQKAFJOMZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-10-11-18(16(2)12-15)14-27(25,26)22-13-21(24)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-12,22H,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide?
2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methylsulfonylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 22299930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).