[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate

C25H24N2O5S — CID 55383614

IUPAC[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-17-6-8-18(9-7-17)24(28)27(2)21-12-14-22(15-13-21)32-25(29)19-4-3-5-23(16-19)33(30,31)26-20-10-11-20/h3-9,12-16,20,26H,10-11H2,1-2H3
InChIKeyZOSLAOFQNBWHOZ-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.93
Rot. Bonds7

About [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate (PubChem CID 55383614) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate
PubChem CID55383614
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate
SMILESCc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)cc1
InChIInChI=1S/C25H24N2O5S/c1-17-6-8-18(9-7-17)24(28)27(2)21-12-14-22(15-13-21)32-25(29)19-4-3-5-23(16-19)33(30,31)26-20-10-11-20/h3-9,12-16,20,26H,10-11H2,1-2H3
InChIKeyZOSLAOFQNBWHOZ-UHFFFAOYSA-N
XLogP3.93
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
(4-chlorophenyl) 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2667235
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 4-nitrobenzoate
CID 33186021
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclopentanecarboxylate
CID 33186300
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxylate
CID 55865780
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate (CID 55383614) is [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate is Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)cc1.
What is the InChIKey of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is ZOSLAOFQNBWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-17-6-8-18(9-7-17)24(28)27(2)21-12-14-22(15-13-21)32-25(29)19-4-3-5-23(16-19)33(30,31)26-20-10-11-20/h3-9,12-16,20,26H,10-11H2,1-2H3.
What are the key properties of [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate?
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 464.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 55383614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).