N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide

C21H25N3O3S — CID 55559390

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C21H25N3O3S/c1-4-24(5-2)28(26,27)18-10-7-16(8-11-18)14-22-21(25)20-13-17-9-6-15(3)12-19(17)23-20/h6-13,23H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyWEKVGSSQTAYIAY-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.44
Rot. Bonds7

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 55559390) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID55559390
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C21H25N3O3S/c1-4-24(5-2)28(26,27)18-10-7-16(8-11-18)14-22-21(25)20-13-17-9-6-15(3)12-19(17)23-20/h6-13,23H,4-5,14H2,1-3H3,(H,22,25)
InChIKeyWEKVGSSQTAYIAY-UHFFFAOYSA-N
XLogP3.44
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
CID 55555913
N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 55953581
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
5-(diethylsulfamoyl)-1-methyl-N-[(4-methylphenyl)methyl]indole-2-carboxamide
CID 50802016
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 55560204
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide (CID 55559390) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is WEKVGSSQTAYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-4-24(5-2)28(26,27)18-10-7-16(8-11-18)14-22-21(25)20-13-17-9-6-15(3)12-19(17)23-20/h6-13,23H,4-5,14H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55559390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).