2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide

C22H25N3O3S — CID 9084099

IUPAC2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-25(4-2)29(27,28)21-13-11-19(12-14-21)23-16-22(26)24-20-10-9-17-7-5-6-8-18(17)15-20/h5-15,23H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyUXQPEKIRTJAYIL-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.92
Rot. Bonds8

About 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide

2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide (PubChem CID 9084099) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
PubChem CID9084099
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-25(4-2)29(27,28)21-13-11-19(12-14-21)23-16-22(26)24-20-10-9-17-7-5-6-8-18(17)15-20/h5-15,23H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyUXQPEKIRTJAYIL-UHFFFAOYSA-N
XLogP3.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481
ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
CID 2217901
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyanilino)acetamide
CID 9080497
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375647
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
2-[4-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9084136
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
2-[4-(diethylsulfamoyl)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4846803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide (CID 9084099) is 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide is CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
The InChIKey is UXQPEKIRTJAYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-25(4-2)29(27,28)21-13-11-19(12-14-21)23-16-22(26)24-20-10-9-17-7-5-6-8-18(17)15-20/h5-15,23H,3-4,16H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide has a molecular weight of 411.53 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 9084099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).