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

C25H33N5O4S — CID 90869267

IUPACN-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-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)cc12
InChIInChI=1S/C25H33N5O4S/c1-5-30(6-2)13-12-27-24(31)21-15(3)28-23-17(21)8-7-9-18(23)22-19-14-16(35(33,34)26-4)10-11-20(19)29-25(22)32/h9-11,14,26,28-29,32H,5-8,12-13H2,1-4H3,(H,27,31)
InChIKeyUTEVILJLECXRAX-UHFFFAOYSA-N
MW499.64 g/mol
LogP2.87
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (PubChem CID 90869267) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
PubChem CID90869267
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC NameN-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-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)cc12
InChIInChI=1S/C25H33N5O4S/c1-5-30(6-2)13-12-27-24(31)21-15(3)28-23-17(21)8-7-9-18(23)22-19-14-16(35(33,34)26-4)10-11-20(19)29-25(22)32/h9-11,14,26,28-29,32H,5-8,12-13H2,1-4H3,(H,27,31)
InChIKeyUTEVILJLECXRAX-UHFFFAOYSA-N
XLogP2.87
TPSA130.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-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-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (CID 90869267) is N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-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-(methylsulfamoyl)-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-(methylsulfamoyl)-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)cc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The InChIKey is UTEVILJLECXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-5-30(6-2)13-12-27-24(31)21-15(3)28-23-17(21)8-7-9-18(23)22-19-14-16(35(33,34)26-4)10-11-20(19)29-25(22)32/h9-11,14,26,28-29,32H,5-8,12-13H2,1-4H3,(H,27,31).
What are the key properties of N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
N-[2-(diethylamino)ethyl]-7-[2-hydroxy-5-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 2.87, 9 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-(methylsulfamoyl)-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 90869267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).