(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide

C20H22N4O3S — CID 39315966

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C20H22N4O3S/c1-15(23-14-22-17-7-3-5-9-19(17)23)20(25)21-11-13-28(26,27)24-12-10-16-6-2-4-8-18(16)24/h2-9,14-15H,10-13H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyBOVWTCYCSWEPOU-HNNXBMFYSA-N
MW398.49 g/mol
LogP2.11
Rot. Bonds6

About (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide (PubChem CID 39315966) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
PubChem CID39315966
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)n1cnc2ccccc21
InChIInChI=1S/C20H22N4O3S/c1-15(23-14-22-17-7-3-5-9-19(17)23)20(25)21-11-13-28(26,27)24-12-10-16-6-2-4-8-18(16)24/h2-9,14-15H,10-13H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyBOVWTCYCSWEPOU-HNNXBMFYSA-N
XLogP2.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide 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

(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 124831156
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
(2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 51943603
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 47029289
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
N-[1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55685369
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
2-(benzimidazol-1-yl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propanamide
CID 77086029
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
CID 125177370
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 55873198
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide (CID 39315966) is (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide is C[C@@H](C(=O)NCCS(=O)(=O)N1CCc2ccccc21)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide?
The InChIKey is BOVWTCYCSWEPOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15(23-14-22-17-7-3-5-9-19(17)23)20(25)21-11-13-28(26,27)24-12-10-16-6-2-4-8-18(16)24/h2-9,14-15H,10-13H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide is sourced from PubChem (CID 39315966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).