2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide

C21H32N4O4S — CID 55508351

IUPAC2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)CC1
InChIInChI=1S/C21H32N4O4S/c1-5-23(6-2)21(27)15-22-9-11-24(12-10-22)30(28,29)19-7-8-20-18(14-19)13-16(3)25(20)17(4)26/h7-8,14,16H,5-6,9-13,15H2,1-4H3
InChIKeyFLPLBHMKJFQHJK-UHFFFAOYSA-N
MW436.58 g/mol
LogP1.16
Rot. Bonds6

About 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55508351) has the molecular formula C21H32N4O4S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55508351
Molecular FormulaC21H32N4O4S
Molecular Weight436.58 g/mol
Exact Mass436.21
IUPAC Name2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)CC1
InChIInChI=1S/C21H32N4O4S/c1-5-23(6-2)21(27)15-22-9-11-24(12-10-22)30(28,29)19-7-8-20-18(14-19)13-16(3)25(20)17(4)26/h7-8,14,16H,5-6,9-13,15H2,1-4H3
InChIKeyFLPLBHMKJFQHJK-UHFFFAOYSA-N
XLogP1.16
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide 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

1-[(2R)-2-methyl-5-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 52517011
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 55508695
1-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 119962803
1-[(2S)-5-[(2R)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 100598670
1-[(2S)-5-[(2S)-4-[(2S)-2-hydroxypropyl]-2-methylpiperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 100899783
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909700
1-[(2S)-5-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 92689394
1-[(2R)-5-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 100893712
1-[5-(3-aminopiperidin-1-yl)sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119959828
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethylacetamide
CID 78787610
1-[2-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 22585605
1-[2-[4-(diethylsulfamoyl)piperazin-1-yl]acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55498991

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55508351) is 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)CC1.
What is the InChIKey of 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is FLPLBHMKJFQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4S/c1-5-23(6-2)21(27)15-22-9-11-24(12-10-22)30(28,29)19-7-8-20-18(14-19)13-16(3)25(20)17(4)26/h7-8,14,16H,5-6,9-13,15H2,1-4H3.
What are the key properties of 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 436.58 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55508351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).