N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide

C24H23N3O6S — CID 30828589

IUPACN-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H23N3O6S/c1-3-15-33-21-11-7-17(8-12-21)23(28)25-26-24(29)18-5-4-6-22(16-18)34(30,31)27-19-9-13-20(32-2)14-10-19/h3-14,16,27H,1,15H2,2H3,(H,25,28)(H,26,29)
InChIKeyRFKFAJQQZBPUEV-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.14
Rot. Bonds9

About N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide

N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 30828589) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
PubChem CID30828589
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC NameN-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H23N3O6S/c1-3-15-33-21-11-7-17(8-12-21)23(28)25-26-24(29)18-5-4-6-22(16-18)34(30,31)27-19-9-13-20(32-2)14-10-19/h3-14,16,27H,1,15H2,2H3,(H,25,28)(H,26,29)
InChIKeyRFKFAJQQZBPUEV-UHFFFAOYSA-N
XLogP3.14
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(4-ethoxyphenyl)-3-[[(4-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 22109353
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 42910311
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 27678550
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide (CID 30828589) is N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide is C=CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is RFKFAJQQZBPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-3-15-33-21-11-7-17(8-12-21)23(28)25-26-24(29)18-5-4-6-22(16-18)34(30,31)27-19-9-13-20(32-2)14-10-19/h3-14,16,27H,1,15H2,2H3,(H,25,28)(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide?
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 481.53 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 30828589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).