3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

C25H25N3O3S — CID 2435938

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)c(C)c1
InChIInChI=1S/C25H25N3O3S/c1-17-10-11-23(18(2)14-17)28-32(30,31)21-7-5-6-19(15-21)25(29)26-13-12-20-16-27-24-9-4-3-8-22(20)24/h3-11,14-16,27-28H,12-13H2,1-2H3,(H,26,29)
InChIKeyPLWIECACBRRSCT-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.56
Rot. Bonds7

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 2435938) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID2435938
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)c(C)c1
InChIInChI=1S/C25H25N3O3S/c1-17-10-11-23(18(2)14-17)28-32(30,31)21-7-5-6-19(15-21)25(29)26-13-12-20-16-27-24-9-4-3-8-22(20)24/h3-11,14-16,27-28H,12-13H2,1-2H3,(H,26,29)
InChIKeyPLWIECACBRRSCT-UHFFFAOYSA-N
XLogP4.56
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 2435938) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is PLWIECACBRRSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17-10-11-23(18(2)14-17)28-32(30,31)21-7-5-6-19(15-21)25(29)26-13-12-20-16-27-24-9-4-3-8-22(20)24/h3-11,14-16,27-28H,12-13H2,1-2H3,(H,26,29).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 2435938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).