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

C30H34FN5O4S — CID 90850668

IUPACN-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-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)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C30H34FN5O4S/c1-4-36(5-2)16-15-32-29(37)26-18(3)33-28-22(26)7-6-8-23(28)27-24-17-21(13-14-25(24)34-30(27)38)41(39,40)35-20-11-9-19(31)10-12-20/h8-14,17,33-35,38H,4-7,15-16H2,1-3H3,(H,32,37)
InChIKeyVSTJEJCEGJWGHX-UHFFFAOYSA-N
MW579.70 g/mol
LogP4.90
Rot. Bonds10

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

N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (PubChem CID 90850668) has the molecular formula C30H34FN5O4S and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide
PubChem CID90850668
Molecular FormulaC30H34FN5O4S
Molecular Weight579.70 g/mol
Exact Mass579.23
IUPAC NameN-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-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)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C30H34FN5O4S/c1-4-36(5-2)16-15-32-29(37)26-18(3)33-28-22(26)7-6-8-23(28)27-24-17-21(13-14-25(24)34-30(27)38)41(39,40)35-20-11-9-19(31)10-12-20/h8-14,17,33-35,38H,4-7,15-16H2,1-3H3,(H,32,37)
InChIKeyVSTJEJCEGJWGHX-UHFFFAOYSA-N
XLogP4.90
TPSA130.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.70
LogP ≤ 54.90
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-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide (CID 90850668) is N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-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)Nc3ccc(F)cc3)cc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
The InChIKey is VSTJEJCEGJWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O4S/c1-4-36(5-2)16-15-32-29(37)26-18(3)33-28-22(26)7-6-8-23(28)27-24-17-21(13-14-25(24)34-30(27)38)41(39,40)35-20-11-9-19(31)10-12-20/h8-14,17,33-35,38H,4-7,15-16H2,1-3H3,(H,32,37).
What are the key properties of N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide?
N-[2-(diethylamino)ethyl]-7-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide has a molecular weight of 579.70 g/mol, XLogP of 4.90, 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-[5-[(4-fluorophenyl)sulfamoyl]-2-hydroxy-1H-indol-3-yl]-2-methyl-4,5-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 90850668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).