N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C24H23N3O4S — CID 27645730

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H23N3O4S/c1-31-23-12-5-4-11-22(23)27-32(29,30)19-8-6-7-17(15-19)24(28)25-14-13-18-16-26-21-10-3-2-9-20(18)21/h2-12,15-16,26-27H,13-14H2,1H3,(H,25,28)
InChIKeyRZXLUYTWANBQTN-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.95
Rot. Bonds8

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

N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 27645730) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID27645730
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H23N3O4S/c1-31-23-12-5-4-11-22(23)27-32(29,30)19-8-6-7-17(15-19)24(28)25-14-13-18-16-26-21-10-3-2-9-20(18)21/h2-12,15-16,26-27H,13-14H2,1H3,(H,25,28)
InChIKeyRZXLUYTWANBQTN-UHFFFAOYSA-N
XLogP3.95
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009969
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031
N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 27645730) is N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is RZXLUYTWANBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-31-23-12-5-4-11-22(23)27-32(29,30)19-8-6-7-17(15-19)24(28)25-14-13-18-16-26-21-10-3-2-9-20(18)21/h2-12,15-16,26-27H,13-14H2,1H3,(H,25,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27645730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).