N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide

C25H25ClN4O3S — CID 50822824

IUPACN-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCCn1c(CCc2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C25H25ClN4O3S/c1-3-30-24-11-7-6-10-23(24)28-25(30)15-12-18-8-4-5-9-21(18)29-34(32,33)19-13-14-22(20(26)16-19)27-17(2)31/h4-11,13-14,16,29H,3,12,15H2,1-2H3,(H,27,31)
InChIKeyYRIVGOUNVHWDNQ-UHFFFAOYSA-N
MW497.02 g/mol
LogP5.25
Rot. Bonds8

About N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide

N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 50822824) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID50822824
Molecular FormulaC25H25ClN4O3S
Molecular Weight497.02 g/mol
Exact Mass496.13
IUPAC NameN-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCCn1c(CCc2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C25H25ClN4O3S/c1-3-30-24-11-7-6-10-23(24)28-25(30)15-12-18-8-4-5-9-21(18)29-34(32,33)19-13-14-22(20(26)16-19)27-17(2)31/h4-11,13-14,16,29H,3,12,15H2,1-2H3,(H,27,31)
InChIKeyYRIVGOUNVHWDNQ-UHFFFAOYSA-N
XLogP5.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.02
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
CID 46379345
N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 46379392
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46379481
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
5-acetamido-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(methanesulfonamido)benzamide
CID 56539236
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382310
(2S)-1-acetyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51594780

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide (CID 50822824) is N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide is CCn1c(CCc2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)nc2ccccc21.
What is the InChIKey of N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is YRIVGOUNVHWDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c1-3-30-24-11-7-6-10-23(24)28-25(30)15-12-18-8-4-5-9-21(18)29-34(32,33)19-13-14-22(20(26)16-19)27-17(2)31/h4-11,13-14,16,29H,3,12,15H2,1-2H3,(H,27,31).
What are the key properties of N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 497.02 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 50822824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).