methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate

C31H24N2O6S — CID 18727915

IUPACmethyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1Oc1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C31H24N2O6S/c1-38-31(35)25-18-22-8-2-3-9-23(22)19-28(25)39-27-12-6-5-11-26(27)33-30(34)21-16-14-20(15-17-21)24-10-4-7-13-29(24)40(32,36)37/h2-19H,1H3,(H,33,34)(H2,32,36,37)
InChIKeyCIFQXAYKMGIQNN-UHFFFAOYSA-N
MW552.61 g/mol
LogP5.99
Rot. Bonds7

About methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate

methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate (PubChem CID 18727915) has the molecular formula C31H24N2O6S and a molecular weight of 552.61 g/mol. Its IUPAC name is methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
PubChem CID18727915
Molecular FormulaC31H24N2O6S
Molecular Weight552.61 g/mol
Exact Mass552.14
IUPAC Namemethyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1Oc1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C31H24N2O6S/c1-38-31(35)25-18-22-8-2-3-9-23(22)19-28(25)39-27-12-6-5-11-26(27)33-30(34)21-16-14-20(15-17-21)24-10-4-7-13-29(24)40(32,36)37/h2-19H,1H3,(H,33,34)(H2,32,36,37)
InChIKeyCIFQXAYKMGIQNN-UHFFFAOYSA-N
XLogP5.99
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.61
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-naphthalen-1-yloxy-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
CID 66831445
N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
CID 142083128
methyl 2-[[4-(2-methylphenyl)benzoyl]amino]benzoate
CID 58981232
N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
CID 10207318
N-[2-(isoquinolin-1-ylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide
CID 22596390
N-(2-sulfamoylphenyl)-4-[6-(trifluoromethoxy)quinolin-2-yl]benzamide
CID 58874653
N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
CID 10302828
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
5-amino-N-(5-bromo-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
CID 22596430
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
2-(3-isocyanophenoxy)-N-[4-(2-sulfamoylphenyl)phenyl]benzamide
CID 59871651

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate?
The IUPAC name of methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate (CID 18727915) is methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate?
The canonical SMILES for methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2cc1Oc1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate?
The InChIKey is CIFQXAYKMGIQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O6S/c1-38-31(35)25-18-22-8-2-3-9-23(22)19-28(25)39-27-12-6-5-11-26(27)33-30(34)21-16-14-20(15-17-21)24-10-4-7-13-29(24)40(32,36)37/h2-19H,1H3,(H,33,34)(H2,32,36,37).
What are the key properties of methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate?
methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate has a molecular weight of 552.61 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 18727915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).