2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide

C21H23N3O4S — CID 27652228

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C21H23N3O4S/c1-24(13-15-6-7-17-11-19(28-2)9-8-16(17)10-15)14-21(25)23-18-4-3-5-20(12-18)29(22,26)27/h3-12H,13-14H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyNHNDFFBJLNHZJI-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.57
Rot. Bonds7

About 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 27652228) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID27652228
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3cccc(S(N)(=O)=O)c3)ccc2c1
InChIInChI=1S/C21H23N3O4S/c1-24(13-15-6-7-17-11-19(28-2)9-8-16(17)10-15)14-21(25)23-18-4-3-5-20(12-18)29(22,26)27/h3-12H,13-14H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyNHNDFFBJLNHZJI-UHFFFAOYSA-N
XLogP2.57
TPSA101.73 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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 27652183
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 27652175
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8794719
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide (CID 27652228) is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide is COc1ccc2cc(CN(C)CC(=O)Nc3cccc(S(N)(=O)=O)c3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is NHNDFFBJLNHZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-24(13-15-6-7-17-11-19(28-2)9-8-16(17)10-15)14-21(25)23-18-4-3-5-20(12-18)29(22,26)27/h3-12H,13-14H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide?
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 27652228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).