3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C21H25N3O3S — CID 27645056

IUPAC3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3S/c1-21(2,3)24-28(26,27)17-8-6-7-15(13-17)20(25)22-12-11-16-14-23-19-10-5-4-9-18(16)19/h4-10,13-14,23-24H,11-12H2,1-3H3,(H,22,25)
InChIKeyZSMSFJZCYGQLPY-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.22
Rot. Bonds6

About 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 27645056) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID27645056
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3S/c1-21(2,3)24-28(26,27)17-8-6-7-15(13-17)20(25)22-12-11-16-14-23-19-10-5-4-9-18(16)19/h4-10,13-14,23-24H,11-12H2,1-3H3,(H,22,25)
InChIKeyZSMSFJZCYGQLPY-UHFFFAOYSA-N
XLogP3.22
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575
N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009969
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109065045
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 27645056) is 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is ZSMSFJZCYGQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-21(2,3)24-28(26,27)17-8-6-7-15(13-17)20(25)22-12-11-16-14-23-19-10-5-4-9-18(16)19/h4-10,13-14,23-24H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 27645056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).