ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate

C20H22N2O6S — CID 9228353

IUPACethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C20H22N2O6S/c1-3-28-20(24)14-5-4-6-16(11-14)21-19(23)13-7-10-17(27-2)18(12-13)29(25,26)22-15-8-9-15/h4-7,10-12,15,22H,3,8-9H2,1-2H3,(H,21,23)
InChIKeyMUDYBAOPZYUMEI-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.56
Rot. Bonds8

About ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate

ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate (PubChem CID 9228353) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
PubChem CID9228353
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Nameethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C20H22N2O6S/c1-3-28-20(24)14-5-4-6-16(11-14)21-19(23)13-7-10-17(27-2)18(12-13)29(25,26)22-15-8-9-15/h4-7,10-12,15,22H,3,8-9H2,1-2H3,(H,21,23)
InChIKeyMUDYBAOPZYUMEI-UHFFFAOYSA-N
XLogP2.56
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
CID 26381192
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702678
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
ethyl 2-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 42997935
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275
[2-oxo-2-(propylamino)ethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7519308
[2-(1-adamantyl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27702712

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate (CID 9228353) is ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
The InChIKey is MUDYBAOPZYUMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-3-28-20(24)14-5-4-6-16(11-14)21-19(23)13-7-10-17(27-2)18(12-13)29(25,26)22-15-8-9-15/h4-7,10-12,15,22H,3,8-9H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate has a molecular weight of 418.47 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate is sourced from PubChem (CID 9228353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).