N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide

C21H21N3O3S — CID 55662732

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H21N3O3S/c25-21(18-7-5-8-19(16-18)23-12-3-4-13-23)22-11-15-28(26,27)24-14-10-17-6-1-2-9-20(17)24/h1-9,12-13,16H,10-11,14-15H2,(H,22,25)
InChIKeyGPNKOJTUEUIPLJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.60
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide (PubChem CID 55662732) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
PubChem CID55662732
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H21N3O3S/c25-21(18-7-5-8-19(16-18)23-12-3-4-13-23)22-11-15-28(26,27)24-14-10-17-6-1-2-9-20(17)24/h1-9,12-13,16H,10-11,14-15H2,(H,22,25)
InChIKeyGPNKOJTUEUIPLJ-UHFFFAOYSA-N
XLogP2.60
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55685369
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-[2-[[N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632257
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55646957
5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
CID 51114529
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
3-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 55662638
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 39300753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide (CID 55662732) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is GPNKOJTUEUIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(18-7-5-8-19(16-18)23-12-3-4-13-23)22-11-15-28(26,27)24-14-10-17-6-1-2-9-20(17)24/h1-9,12-13,16H,10-11,14-15H2,(H,22,25).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55662732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).