N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide

C20H29N3O5S — CID 53025463

IUPACN-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O5S/c1-28-14-10-21-29(26,27)17-5-6-18-16(15-17)9-13-23(18)20(25)8-7-19(24)22-11-3-2-4-12-22/h5-6,15,21H,2-4,7-14H2,1H3
InChIKeyLJDPYKWTDHTKAL-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.29
Rot. Bonds8

About N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide

N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 53025463) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID53025463
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O5S/c1-28-14-10-21-29(26,27)17-5-6-18-16(15-17)9-13-23(18)20(25)8-7-19(24)22-11-3-2-4-12-22/h5-6,15,21H,2-4,7-14H2,1H3
InChIKeyLJDPYKWTDHTKAL-UHFFFAOYSA-N
XLogP1.29
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-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-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(2-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53057581
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(4-ethylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53057564
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 53025616
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-fluoro-4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53025635
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53004989

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide (CID 53025463) is N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide is COCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LJDPYKWTDHTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-28-14-10-21-29(26,27)17-5-6-18-16(15-17)9-13-23(18)20(25)8-7-19(24)22-11-3-2-4-12-22/h5-6,15,21H,2-4,7-14H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide?
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53025463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).