N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide

C27H37N5O4S — CID 91206675

IUPACN-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC=C2c1c(O)[nH]c2ccc(S(=O)(=O)NC(C)C)cc12
InChIInChI=1S/C27H37N5O4S/c1-6-32(7-2)14-13-28-26(33)23-17(5)29-25-19(23)9-8-10-20(25)24-21-15-18(37(35,36)31-16(3)4)11-12-22(21)30-27(24)34/h10-12,15-16,29-31,34H,6-9,13-14H2,1-5H3,(H,28,33)
InChIKeyUVBQYLRQJLCMAT-UHFFFAOYSA-N
MW527.69 g/mol
LogP3.65
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide

N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (PubChem CID 91206675) has the molecular formula C27H37N5O4S and a molecular weight of 527.69 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
PubChem CID91206675
Molecular FormulaC27H37N5O4S
Molecular Weight527.69 g/mol
Exact Mass527.26
IUPAC NameN-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC=C2c1c(O)[nH]c2ccc(S(=O)(=O)NC(C)C)cc12
InChIInChI=1S/C27H37N5O4S/c1-6-32(7-2)14-13-28-26(33)23-17(5)29-25-19(23)9-8-10-20(25)24-21-15-18(37(35,36)31-16(3)4)11-12-22(21)30-27(24)34/h10-12,15-16,29-31,34H,6-9,13-14H2,1-5H3,(H,28,33)
InChIKeyUVBQYLRQJLCMAT-UHFFFAOYSA-N
XLogP3.65
TPSA130.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.69
LogP ≤ 53.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-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-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (CID 91206675) is N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC=C2c1c(O)[nH]c2ccc(S(=O)(=O)NC(C)C)cc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The InChIKey is UVBQYLRQJLCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4S/c1-6-32(7-2)14-13-28-26(33)23-17(5)29-25-19(23)9-8-10-20(25)24-21-15-18(37(35,36)31-16(3)4)11-12-22(21)30-27(24)34/h10-12,15-16,29-31,34H,6-9,13-14H2,1-5H3,(H,28,33).
What are the key properties of N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide has a molecular weight of 527.69 g/mol, XLogP of 3.65, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(propan-2-ylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 91206675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).