1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

C23H22N4O3S — CID 110501424

IUPAC1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C)c2ccccc21
InChIInChI=1S/C23H22N4O3S/c1-3-27-20-9-5-4-8-19(20)16(2)22(27)23(28)25-17-11-13-18(14-12-17)31(29,30)26-21-10-6-7-15-24-21/h4-15H,3H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyWEVPMNGSVPZGRU-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.42
Rot. Bonds6

About 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 110501424) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID110501424
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C)c2ccccc21
InChIInChI=1S/C23H22N4O3S/c1-3-27-20-9-5-4-8-19(20)16(2)22(27)23(28)25-17-11-13-18(14-12-17)31(29,30)26-21-10-6-7-15-24-21/h4-15H,3H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyWEVPMNGSVPZGRU-UHFFFAOYSA-N
XLogP4.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501633
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110501459
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-ethoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078176
1-ethyl-3-methyl-N-(5-methyl-2-pyridinyl)indole-2-carboxamide
CID 110501570
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
1-ethyl-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)indole-2-carboxamide
CID 110501576

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 110501424) is 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is CCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is WEVPMNGSVPZGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-3-27-20-9-5-4-8-19(20)16(2)22(27)23(28)25-17-11-13-18(14-12-17)31(29,30)26-21-10-6-7-15-24-21/h4-15H,3H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 110501424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).