N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide

C35H30N6O8S2 — CID 139878369

IUPACN-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1NC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C35H30N6O8S2/c1-23-12-13-28(38-34(44)40-50(46,47)29-18-14-26(15-19-29)36-32(42)24-8-4-2-5-9-24)22-31(23)39-35(45)41-51(48,49)30-20-16-27(17-21-30)37-33(43)25-10-6-3-7-11-25/h2-22H,1H3,(H,36,42)(H,37,43)(H2,38,40,44)(H2,39,41,45)
InChIKeyDOWBYLXCFUYCLE-UHFFFAOYSA-N
MW726.79 g/mol
LogP5.52
Rot. Bonds10

About N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide

N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide (PubChem CID 139878369) has the molecular formula C35H30N6O8S2 and a molecular weight of 726.79 g/mol. Its IUPAC name is N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
PubChem CID139878369
Molecular FormulaC35H30N6O8S2
Molecular Weight726.79 g/mol
Exact Mass726.16
IUPAC NameN-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1NC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C35H30N6O8S2/c1-23-12-13-28(38-34(44)40-50(46,47)29-18-14-26(15-19-29)36-32(42)24-8-4-2-5-9-24)22-31(23)39-35(45)41-51(48,49)30-20-16-27(17-21-30)37-33(43)25-10-6-3-7-11-25/h2-22H,1H3,(H,36,42)(H,37,43)(H2,38,40,44)(H2,39,41,45)
InChIKeyDOWBYLXCFUYCLE-UHFFFAOYSA-N
XLogP5.52
TPSA208.74 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500726.79
LogP ≤ 55.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
CID 91616190
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
1-[2-methyl-5-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]-3-naphthalen-1-ylsulfonylurea
CID 19607163
N-[2-methyl-5-[[2-(4-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide
CID 5175409
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide (CID 139878369) is N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide is Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1NC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide?
The InChIKey is DOWBYLXCFUYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N6O8S2/c1-23-12-13-28(38-34(44)40-50(46,47)29-18-14-26(15-19-29)36-32(42)24-8-4-2-5-9-24)22-31(23)39-35(45)41-51(48,49)30-20-16-27(17-21-30)37-33(43)25-10-6-3-7-11-25/h2-22H,1H3,(H,36,42)(H,37,43)(H2,38,40,44)(H2,39,41,45).
What are the key properties of N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide?
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide has a molecular weight of 726.79 g/mol, XLogP of 5.52, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 139878369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).