2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide

C20H21N3O3S — CID 1211216

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-22(2)27(25,26)23(19-10-4-3-5-11-19)15-20(24)21-18-13-12-16-8-6-7-9-17(16)14-18/h3-14H,15H2,1-2H3,(H,21,24)
InChIKeyISFLDDQAQYQJOK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.09
Rot. Bonds6

About 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide

2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide (PubChem CID 1211216) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
PubChem CID1211216
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-22(2)27(25,26)23(19-10-4-3-5-11-19)15-20(24)21-18-13-12-16-8-6-7-9-17(16)14-18/h3-14H,15H2,1-2H3,(H,21,24)
InChIKeyISFLDDQAQYQJOK-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-2-Naphthalenylacetamide
CID 11394
Phenylalanine Arginine Beta-Naphthylamide
CID 443301
2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 2222994
Cystine-di-beta-naphthylamide
CID 102588
Glycyl-N-2-naphthalenyl-L-phenylalaninamide
CID 152423
Leucine-beta-naphthylamide
CID 102475
Glycine beta-naphthylamide
CID 3013990
2-(2-fluoroanilino)-N-naphthalen-1-ylacetamide
CID 2604436
ST032473
CID 588601
2-[N-(dimethylsulfamoyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2231602
N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2302024
N-(3-methylphenyl)-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide
CID 2963473

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide (CID 1211216) is 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
The InChIKey is ISFLDDQAQYQJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-22(2)27(25,26)23(19-10-4-3-5-11-19)15-20(24)21-18-13-12-16-8-6-7-9-17(16)14-18/h3-14H,15H2,1-2H3,(H,21,24).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 1211216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).