1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

C25H26N4O3S — CID 110501633

IUPAC1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(S(=O)(=O)Nc3ccccn3)cc1)n2CC
InChIInChI=1S/C25H26N4O3S/c1-4-18-9-14-22-21(16-18)17(3)24(29(22)5-2)25(30)27-19-10-12-20(13-11-19)33(31,32)28-23-8-6-7-15-26-23/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyUUNFYPVLORIREW-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.98
Rot. Bonds7

About 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide

1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 110501633) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID110501633
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(S(=O)(=O)Nc3ccccn3)cc1)n2CC
InChIInChI=1S/C25H26N4O3S/c1-4-18-9-14-22-21(16-18)17(3)24(29(22)5-2)25(30)27-19-10-12-20(13-11-19)33(31,32)28-23-8-6-7-15-26-23/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyUUNFYPVLORIREW-UHFFFAOYSA-N
XLogP4.98
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.98
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-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501424
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
CID 110501801
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110501459
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
2-(3-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 53267157
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 110501633) is 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(S(=O)(=O)Nc3ccccn3)cc1)n2CC.
What is the InChIKey of 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is UUNFYPVLORIREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-4-18-9-14-22-21(16-18)17(3)24(29(22)5-2)25(30)27-19-10-12-20(13-11-19)33(31,32)28-23-8-6-7-15-26-23/h6-16H,4-5H2,1-3H3,(H,26,28)(H,27,30).
What are the key properties of 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide?
1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 110501633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).