N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide

C13H17N3O3S — CID 106340710

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O3S/c1-16(2)20(18,19)8-7-14-13(17)12-9-10-5-3-4-6-11(10)15-12/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)
InChIKeyGCOVHNVAOKFWED-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.79
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 106340710) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
PubChem CID106340710
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O3S/c1-16(2)20(18,19)8-7-14-13(17)12-9-10-5-3-4-6-11(10)15-12/h3-6,9,15H,7-8H2,1-2H3,(H,14,17)
InChIKeyGCOVHNVAOKFWED-UHFFFAOYSA-N
XLogP0.79
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
CID 135088303
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-(2-methylsulfonylethyl)-3H-benzo[e]indole-2-carboxamide
CID 71889496

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide (CID 106340710) is N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is GCOVHNVAOKFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16(2)20(18,19)8-7-14-13(17)12-9-10-5-3-4-6-11(10)15-12/h3-6,9,15H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 106340710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).