2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

C23H29N3O5S — CID 38268624

IUPAC2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C23H29N3O5S/c1-3-26(4-2)32(28,29)19-7-8-20-17(14-19)10-11-25(20)16-23(27)24-18-6-9-21-22(15-18)31-13-5-12-30-21/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,24,27)
InChIKeyANUQLCHJRXBFIP-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.88
Rot. Bonds7

About 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide (PubChem CID 38268624) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide.

Molecular Properties

Compound Name2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
PubChem CID38268624
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C23H29N3O5S/c1-3-26(4-2)32(28,29)19-7-8-20-17(14-19)10-11-25(20)16-23(27)24-18-6-9-21-22(15-18)31-13-5-12-30-21/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,24,27)
InChIKeyANUQLCHJRXBFIP-UHFFFAOYSA-N
XLogP2.88
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide 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

N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 20964939
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 3163586
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 38268580
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794767
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059032
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435397
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-[4-(diethylsulfamoyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide
CID 3417972
1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598313

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
The IUPAC name of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide (CID 38268624) is 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide.
What is the SMILES notation for 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
The canonical SMILES for 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
The InChIKey is ANUQLCHJRXBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-3-26(4-2)32(28,29)19-7-8-20-17(14-19)10-11-25(20)16-23(27)24-18-6-9-21-22(15-18)31-13-5-12-30-21/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,24,27).
What are the key properties of 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide?
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide has a molecular weight of 459.57 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide is sourced from PubChem (CID 38268624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).