N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide

C23H24N4O4S — CID 55348082

IUPACN-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H24N4O4S/c1-16-11-12-21(17(2)13-16)24-15-22(28)25-26-23(29)18-7-6-8-19(14-18)27-32(30,31)20-9-4-3-5-10-20/h3-14,24,27H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUXQQSBYAEOKGIB-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.98
Rot. Bonds7

About N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide

N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide (PubChem CID 55348082) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
PubChem CID55348082
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H24N4O4S/c1-16-11-12-21(17(2)13-16)24-15-22(28)25-26-23(29)18-7-6-8-19(14-18)27-32(30,31)20-9-4-3-5-10-20/h3-14,24,27H,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyUXQQSBYAEOKGIB-UHFFFAOYSA-N
XLogP2.98
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 56504014
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 2692226
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N'-[2-(4-methylanilino)acetyl]-3-methylsulfonylbenzohydrazide
CID 55350628
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide
CID 56503764
N-(2,4-dimethylphenyl)-3-[[[(E)-1,3-diphenylprop-1-en-2-yl]amino]carbamoyl]benzenesulfonamide
CID 2329811
N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
CID 24636864
3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(4-methylphenyl)benzenesulfonamide
CID 27569057
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide (CID 55348082) is N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide is Cc1ccc(NCC(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1.
What is the InChIKey of N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is UXQQSBYAEOKGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16-11-12-21(17(2)13-16)24-15-22(28)25-26-23(29)18-7-6-8-19(14-18)27-32(30,31)20-9-4-3-5-10-20/h3-14,24,27H,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide?
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 55348082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).