2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide

C21H23N3O4S — CID 4884051

IUPAC2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H23N3O4S/c1-24(2)29(26,27)16-11-12-20(28-3)19(13-16)22-14-21(25)23-18-10-6-8-15-7-4-5-9-17(15)18/h4-13,22H,14H2,1-3H3,(H,23,25)
InChIKeyJGBNBZFSIWCXGM-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.15
Rot. Bonds7

About 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide

2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide (PubChem CID 4884051) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide
PubChem CID4884051
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H23N3O4S/c1-24(2)29(26,27)16-11-12-20(28-3)19(13-16)22-14-21(25)23-18-10-6-8-15-7-4-5-9-17(15)18/h4-13,22H,14H2,1-3H3,(H,23,25)
InChIKeyJGBNBZFSIWCXGM-UHFFFAOYSA-N
XLogP3.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine
CID 77461035
2-[(4-Aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
CID 164513524
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 118464995
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118464996
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide
CID 118464998
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465011
N-[2-(4-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465023
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465171
2,2'-(Naphthalene-1,4-Diylbis(((4-Methoxyphenyl)sulfonyl)azanediyl))diacetamide
CID 91885637
Keap1-Nrf2-IN-11
CID 164517143

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide (CID 4884051) is 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide?
The InChIKey is JGBNBZFSIWCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-24(2)29(26,27)16-11-12-20(28-3)19(13-16)22-14-21(25)23-18-10-6-8-15-7-4-5-9-17(15)18/h4-13,22H,14H2,1-3H3,(H,23,25).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide?
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide has a molecular weight of 413.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4884051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).