5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide

C22H26N4O4S — CID 167957313

IUPAC5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1
InChIInChI=1S/C22H26N4O4S/c1-4-5-12-26(3)22(28)17-8-6-7-9-20(17)31(29,30)25-16-10-11-18-15(13-16)14-19(24-18)21(27)23-2/h6-11,13-14,24-25H,4-5,12H2,1-3H3,(H,23,27)
InChIKeyIRKMXWUWXLZRLR-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.20
Rot. Bonds8

About 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide

5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 167957313) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
PubChem CID167957313
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1
InChIInChI=1S/C22H26N4O4S/c1-4-5-12-26(3)22(28)17-8-6-7-9-20(17)31(29,30)25-16-10-11-18-15(13-16)14-19(24-18)21(27)23-2/h6-11,13-14,24-25H,4-5,12H2,1-3H3,(H,23,27)
InChIKeyIRKMXWUWXLZRLR-UHFFFAOYSA-N
XLogP3.20
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221463
N-butyl-N-methyl-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
CID 58924138
N-butyl-N-methyl-2-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824520
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418
methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
2-(3-aminobutylsulfamoyl)-N-butyl-N-methylbenzamide
CID 119972472
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 9223899
N-[(2-ethylphenyl)methyl]-N'-[2-(methylcarbamoyl)-1H-indol-5-yl]oxamide
CID 167951270

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide (CID 167957313) is 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide is CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(C(=O)NC)cc2c1.
What is the InChIKey of 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is IRKMXWUWXLZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-5-12-26(3)22(28)17-8-6-7-9-20(17)31(29,30)25-16-10-11-18-15(13-16)14-19(24-18)21(27)23-2/h6-11,13-14,24-25H,4-5,12H2,1-3H3,(H,23,27).
What are the key properties of 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167957313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).