[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate

C24H23N3O6S — CID 42981396

IUPAC[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C24H23N3O6S/c1-16-5-4-6-18(13-16)23(29)27-21-8-3-2-7-20(21)24(30)33-15-22(28)26-14-17-9-11-19(12-10-17)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,28)(H,27,29)(H2,25,31,32)
InChIKeyMHIYCLATQQSABT-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.37
Rot. Bonds8

About [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate

[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 42981396) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
PubChem CID42981396
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C24H23N3O6S/c1-16-5-4-6-18(13-16)23(29)27-21-8-3-2-7-20(21)24(30)33-15-22(28)26-14-17-9-11-19(12-10-17)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,28)(H,27,29)(H2,25,31,32)
InChIKeyMHIYCLATQQSABT-UHFFFAOYSA-N
XLogP2.37
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate with MolForge

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
N-[(4-methoxyphenyl)methyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549729
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2415194
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
[2-[(3-methylphenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860409
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate (CID 42981396) is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate is Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is MHIYCLATQQSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-16-5-4-6-18(13-16)23(29)27-21-8-3-2-7-20(21)24(30)33-15-22(28)26-14-17-9-11-19(12-10-17)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,28)(H,27,29)(H2,25,31,32).
What are the key properties of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate?
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 481.53 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 42981396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).