3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

C24H18Cl2N4O6S — CID 134152920

IUPAC3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2onc(-c3ccc(Cl)cc3Cl)c2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
InChIKeyZIKSBMQYHZNLAC-UHFFFAOYSA-N
MW561.40 g/mol
LogP4.81
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide

3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 134152920) has the molecular formula C24H18Cl2N4O6S and a molecular weight of 561.40 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID134152920
Molecular FormulaC24H18Cl2N4O6S
Molecular Weight561.40 g/mol
Exact Mass560.03
IUPAC Name3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2onc(-c3ccc(Cl)cc3Cl)c2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34)
InChIKeyZIKSBMQYHZNLAC-UHFFFAOYSA-N
XLogP4.81
TPSA153.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.40
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide (CID 134152920) is 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is COc1ccc(C(=O)Nc2onc(-c3ccc(Cl)cc3Cl)c2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ZIKSBMQYHZNLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O6S/c1-35-16-7-2-13(3-8-16)22(31)29-24-20(21(30-36-24)18-11-4-14(25)12-19(18)26)23(32)28-15-5-9-17(10-6-15)37(27,33)34/h2-12H,1H3,(H,28,32)(H,29,31)(H2,27,33,34).
What are the key properties of 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide?
3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 561.40 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[(4-methoxybenzoyl)amino]-N-(4-sulfamoylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134152920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).