3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide

C30H23N3O5S — CID 66831445

IUPAC3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(Oc2cccc3ccccc23)c1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C30H23N3O5S/c31-29(34)24-11-6-13-26(38-25-12-5-8-19-7-1-2-9-22(19)25)28(24)33-30(35)21-17-15-20(16-18-21)23-10-3-4-14-27(23)39(32,36)37/h1-18H,(H2,31,34)(H,33,35)(H2,32,36,37)
InChIKeyYXLFBGFGFJCMIS-UHFFFAOYSA-N
MW537.60 g/mol
LogP5.30
Rot. Bonds7

About 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide

3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide (PubChem CID 66831445) has the molecular formula C30H23N3O5S and a molecular weight of 537.60 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
PubChem CID66831445
Molecular FormulaC30H23N3O5S
Molecular Weight537.60 g/mol
Exact Mass537.14
IUPAC Name3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(Oc2cccc3ccccc23)c1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C30H23N3O5S/c31-29(34)24-11-6-13-26(38-25-12-5-8-19-7-1-2-9-22(19)25)28(24)33-30(35)21-17-15-20(16-18-21)23-10-3-4-14-27(23)39(32,36)37/h1-18H,(H2,31,34)(H,33,35)(H2,32,36,37)
InChIKeyYXLFBGFGFJCMIS-UHFFFAOYSA-N
XLogP5.30
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
CID 18727915
3-methoxy-2-[(4-methylbenzoyl)amino]benzamide
CID 90202874
N-[2-(isoquinolin-1-ylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide
CID 22596390
N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
CID 142083128
2-[(4-chlorobenzoyl)amino]-3-methoxybenzamide
CID 90202953
2-(3-isocyanophenoxy)-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 59871651
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
CID 10207318
3-amino-4-naphthalen-1-yloxybenzamide
CID 43448527
N-[3-[3-(1-aminoethenyl)phenyl]propyl]-4-(2-sulfamoylphenyl)benzamide
CID 142030083
2-aminobenzenesulfonamide;naphthalen-1-ylurea
CID 174452527
N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
CID 10302828

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The IUPAC name of 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide (CID 66831445) is 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide is NC(=O)c1cccc(Oc2cccc3ccccc23)c1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
The InChIKey is YXLFBGFGFJCMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O5S/c31-29(34)24-11-6-13-26(38-25-12-5-8-19-7-1-2-9-22(19)25)28(24)33-30(35)21-17-15-20(16-18-21)23-10-3-4-14-27(23)39(32,36)37/h1-18H,(H2,31,34)(H,33,35)(H2,32,36,37).
What are the key properties of 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide?
3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide has a molecular weight of 537.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide is sourced from PubChem (CID 66831445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).