N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide

C26H25N3O4S — CID 66539148

IUPACN-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C26H25N3O4S/c1-18-6-9-21(10-7-18)29-26(30)17-33-25-15-8-19-4-2-3-5-23(19)24(25)16-28-20-11-13-22(14-12-20)34(27,31)32/h2-15,28H,16-17H2,1H3,(H,29,30)(H2,27,31,32)
InChIKeyDGZHKUNYIHUUGT-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.43
Rot. Bonds8

About N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide

N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 66539148) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide
PubChem CID66539148
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCc1ccc(NC(=O)COc2ccc3ccccc3c2CNc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C26H25N3O4S/c1-18-6-9-21(10-7-18)29-26(30)17-33-25-15-8-19-4-2-3-5-23(19)24(25)16-28-20-11-13-22(14-12-20)34(27,31)32/h2-15,28H,16-17H2,1H3,(H,29,30)(H2,27,31,32)
InChIKeyDGZHKUNYIHUUGT-UHFFFAOYSA-N
XLogP4.43
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
4-methyl-3-[[2-[2-(4-methylanilino)-2-oxoethoxy]naphthalen-1-yl]methylamino]benzoic acid
CID 66539065
2-[2-chloro-6-ethoxy-4-[(4-sulfamoylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539433
N-(4-methylphenyl)-2-[1-[(3-pyridin-2-yloxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 66526190
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
CID 7763576

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide (CID 66539148) is N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide is Cc1ccc(NC(=O)COc2ccc3ccccc3c2CNc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is DGZHKUNYIHUUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-18-6-9-21(10-7-18)29-26(30)17-33-25-15-8-19-4-2-3-5-23(19)24(25)16-28-20-11-13-22(14-12-20)34(27,31)32/h2-15,28H,16-17H2,1H3,(H,29,30)(H2,27,31,32).
What are the key properties of N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide?
N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 475.57 g/mol, XLogP of 4.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[1-[(4-sulfamoylanilino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 66539148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).