N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

C24H25N3O6S — CID 55350821

IUPACN-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)COc3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-16-5-4-6-20(13-16)33-15-23(28)25-26-24(29)22-14-21(12-7-17(22)2)34(30,31)27-18-8-10-19(32-3)11-9-18/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKXYIAKMYBBCVCN-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.95
Rot. Bonds8

About N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide

N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 55350821) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID55350821
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)COc3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-16-5-4-6-20(13-16)33-15-23(28)25-26-24(29)22-14-21(12-7-17(22)2)34(30,31)27-18-8-10-19(32-3)11-9-18/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyKXYIAKMYBBCVCN-UHFFFAOYSA-N
XLogP2.95
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55869875
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 94783611
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30795639

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide (CID 55350821) is N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)COc3cccc(C)c3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is KXYIAKMYBBCVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-16-5-4-6-20(13-16)33-15-23(28)25-26-24(29)22-14-21(12-7-17(22)2)34(30,31)27-18-8-10-19(32-3)11-9-18/h4-14,27H,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide?
N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55350821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).