3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide

C19H21N3O3S — CID 113205000

IUPAC3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H21N3O3S/c1-12-3-8-16-13(2)18(22-17(16)11-12)19(23)21-10-9-14-4-6-15(7-5-14)26(20,24)25/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyWYTQLNCBQIOTRR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.40
Rot. Bonds5

About 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide

3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 113205000) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID113205000
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C19H21N3O3S/c1-12-3-8-16-13(2)18(22-17(16)11-12)19(23)21-10-9-14-4-6-15(7-5-14)26(20,24)25/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyWYTQLNCBQIOTRR-UHFFFAOYSA-N
XLogP2.40
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide
CID 22423581
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyridine-3-carboxamide
CID 110648736
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 6623969
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide (CID 113205000) is 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is WYTQLNCBQIOTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-3-8-16-13(2)18(22-17(16)11-12)19(23)21-10-9-14-4-6-15(7-5-14)26(20,24)25/h3-8,11,22H,9-10H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide?
3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).