3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide

C23H28N2O4S — CID 46276880

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
SMILESCCN(Cc1ccccc1)C(=O)CC(C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C23H28N2O4S/c1-4-24(16-19-8-6-5-7-9-19)23(27)14-17(2)30(28,29)21-10-11-22-20(15-21)12-13-25(22)18(3)26/h5-11,15,17H,4,12-14,16H2,1-3H3
InChIKeyXFUPDMZENCBCHM-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.20
Rot. Bonds7

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide (PubChem CID 46276880) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
PubChem CID46276880
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
SMILESCCN(Cc1ccccc1)C(=O)CC(C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C23H28N2O4S/c1-4-24(16-19-8-6-5-7-9-19)23(27)14-17(2)30(28,29)21-10-11-22-20(15-21)12-13-25(22)18(3)26/h5-11,15,17H,4,12-14,16H2,1-3H3
InChIKeyXFUPDMZENCBCHM-UHFFFAOYSA-N
XLogP3.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide 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

(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide
CID 92742806
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-ethyl-N-phenylbutanamide
CID 20950710
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-chlorophenyl)butanamide
CID 46276882
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
CID 92742849
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92661510
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
5-(diethylsulfamoyl)-N-ethyl-N-(3-phenylpropyl)-2,3-dihydroindole-1-carboxamide
CID 118398529

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide (CID 46276880) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide is CCN(Cc1ccccc1)C(=O)CC(C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide?
The InChIKey is XFUPDMZENCBCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-24(16-19-8-6-5-7-9-19)23(27)14-17(2)30(28,29)21-10-11-22-20(15-21)12-13-25(22)18(3)26/h5-11,15,17H,4,12-14,16H2,1-3H3.
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide has a molecular weight of 428.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide is sourced from PubChem (CID 46276880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).