N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C19H30ClN3O4S — CID 119296309

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C2CC3CCCCC3N2)cc1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-11-10-21-27(24,25)16-8-6-14(7-9-16)13-20-19(23)18-12-15-4-2-3-5-17(15)22-18;/h6-9,15,17-18,21-22H,2-5,10-13H2,1H3,(H,20,23);1H
InChIKeyJSOVYYOQBRBLRD-UHFFFAOYSA-N
MW431.99 g/mol
LogP1.57
Rot. Bonds8

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119296309) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119296309
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)C2CC3CCCCC3N2)cc1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-11-10-21-27(24,25)16-8-6-14(7-9-16)13-20-19(23)18-12-15-4-2-3-5-17(15)22-18;/h6-9,15,17-18,21-22H,2-5,10-13H2,1H3,(H,20,23);1H
InChIKeyJSOVYYOQBRBLRD-UHFFFAOYSA-N
XLogP1.57
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride 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-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-2-carboxamide
CID 119296308
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119295965
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
N-[(4-carbamoylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119270124
N-(3-methoxypropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262546
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119283772
N-[[4-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275113
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119836209
N-[(3-sulfamoylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119293676
N-[(4-pyrazol-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290424
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119303151

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119296309) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is COCCNS(=O)(=O)c1ccc(CNC(=O)C2CC3CCCCC3N2)cc1.Cl.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is JSOVYYOQBRBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-26-11-10-21-27(24,25)16-8-6-14(7-9-16)13-20-19(23)18-12-15-4-2-3-5-17(15)22-18;/h6-9,15,17-18,21-22H,2-5,10-13H2,1H3,(H,20,23);1H.
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119296309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).