N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C24H23N3O4S — CID 23474703

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-15-16(2)25-23-13-4-17(14-22(15)23)24(28)26-18-7-11-21(12-8-18)32(29,30)27-19-5-9-20(31-3)10-6-19/h4-14,25,27H,1-3H3,(H,26,28)
InChIKeyAOCYERRCINJALC-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.85
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 23474703) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID23474703
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-15-16(2)25-23-13-4-17(14-22(15)23)24(28)26-18-7-11-21(12-8-18)32(29,30)27-19-5-9-20(31-3)10-6-19/h4-14,25,27H,1-3H3,(H,26,28)
InChIKeyAOCYERRCINJALC-UHFFFAOYSA-N
XLogP4.85
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 17175147
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
N-(4-amino-3,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24563955
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 23474703) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is AOCYERRCINJALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-15-16(2)25-23-13-4-17(14-22(15)23)24(28)26-18-7-11-21(12-8-18)32(29,30)27-19-5-9-20(31-3)10-6-19/h4-14,25,27H,1-3H3,(H,26,28).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 23474703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).