N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide

C24H30N4O3S — CID 43007561

IUPACN,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1c3ccccc3CC1C)n2C
InChIInChI=1S/C24H30N4O3S/c1-5-27(6-2)32(30,31)19-11-12-22-20(16-19)25-23(26(22)4)13-14-24(29)28-17(3)15-18-9-7-8-10-21(18)28/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKeyRAWFSHASWOBYRL-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.51
Rot. Bonds7

About N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide

N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide (PubChem CID 43007561) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide
PubChem CID43007561
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1c3ccccc3CC1C)n2C
InChIInChI=1S/C24H30N4O3S/c1-5-27(6-2)32(30,31)19-11-12-22-20(16-19)25-23(26(22)4)13-14-24(29)28-17(3)15-18-9-7-8-10-21(18)28/h7-12,16-17H,5-6,13-15H2,1-4H3
InChIKeyRAWFSHASWOBYRL-UHFFFAOYSA-N
XLogP3.51
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 46633132
2-[3-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-N,N-diethyl-1-methylbenzimidazole-5-sulfonamide
CID 55342404
2-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-N,N-diethyl-1-methylbenzimidazole-5-sulfonamide
CID 46696516
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3-indol-1-ylpropyl)propanamide
CID 55369870
4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 133239352
3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049653
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide
CID 133178573
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-pentyl-N-propan-2-ylpropanamide
CID 55601933
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide (CID 43007561) is N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1c3ccccc3CC1C)n2C.
What is the InChIKey of N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide?
The InChIKey is RAWFSHASWOBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-5-27(6-2)32(30,31)19-11-12-22-20(16-19)25-23(26(22)4)13-14-24(29)28-17(3)15-18-9-7-8-10-21(18)28/h7-12,16-17H,5-6,13-15H2,1-4H3.
What are the key properties of N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide?
N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 43007561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).