1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C24H33N3O4S — CID 55508412

IUPAC1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O4S/c1-6-26(7-2)24(19-9-8-10-21(14-19)31-5)16-25-32(29,30)22-11-12-23-20(15-22)13-17(3)27(23)18(4)28/h8-12,14-15,17,24-25H,6-7,13,16H2,1-5H3
InChIKeyAPDOEFNBPZAKQH-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.35
Rot. Bonds9

About 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55508412) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55508412
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C24H33N3O4S/c1-6-26(7-2)24(19-9-8-10-21(14-19)31-5)16-25-32(29,30)22-11-12-23-20(15-22)13-17(3)27(23)18(4)28/h8-12,14-15,17,24-25H,6-7,13,16H2,1-5H3
InChIKeyAPDOEFNBPZAKQH-UHFFFAOYSA-N
XLogP3.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide 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-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508575
1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55460578
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193
(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
CID 92705152
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
(2R)-1-acetyl-N-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 92750568
1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 90516445
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
(2R)-1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 92875766

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 55508412) is 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O)c1cccc(OC)c1.
What is the InChIKey of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is APDOEFNBPZAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-6-26(7-2)24(19-9-8-10-21(14-19)31-5)16-25-32(29,30)22-11-12-23-20(15-22)13-17(3)27(23)18(4)28/h8-12,14-15,17,24-25H,6-7,13,16H2,1-5H3.
What are the key properties of 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 459.61 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55508412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).