N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide

C31H39N3O3S — CID 19024465

IUPACN-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide
SMILESCCCCCN(Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C31H39N3O3S/c1-5-6-11-21-33(30(35)34-22-20-26-12-7-9-14-28(26)34)23-24-16-18-25(19-17-24)27-13-8-10-15-29(27)38(36,37)32-31(2,3)4/h7-10,12-19,32H,5-6,11,20-23H2,1-4H3
InChIKeyDMSXBJYYMDRSNV-UHFFFAOYSA-N
MW533.74 g/mol
LogP6.61
Rot. Bonds9

About N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide

N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide (PubChem CID 19024465) has the molecular formula C31H39N3O3S and a molecular weight of 533.74 g/mol. Its IUPAC name is N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide
PubChem CID19024465
Molecular FormulaC31H39N3O3S
Molecular Weight533.74 g/mol
Exact Mass533.27
IUPAC NameN-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide
SMILESCCCCCN(Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C31H39N3O3S/c1-5-6-11-21-33(30(35)34-22-20-26-12-7-9-14-28(26)34)23-24-16-18-25(19-17-24)27-13-8-10-15-29(27)38(36,37)32-31(2,3)4/h7-10,12-19,32H,5-6,11,20-23H2,1-4H3
InChIKeyDMSXBJYYMDRSNV-UHFFFAOYSA-N
XLogP6.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.74
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide (CID 19024465) is N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide is CCCCCN(Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is DMSXBJYYMDRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O3S/c1-5-6-11-21-33(30(35)34-22-20-26-12-7-9-14-28(26)34)23-24-16-18-25(19-17-24)27-13-8-10-15-29(27)38(36,37)32-31(2,3)4/h7-10,12-19,32H,5-6,11,20-23H2,1-4H3.
What are the key properties of N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide?
N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 533.74 g/mol, XLogP of 6.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N-pentyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 19024465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).