N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

C23H30ClN5O3S — CID 55337333

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(Cl)ccc1N(C)C)n2C
InChIInChI=1S/C23H30ClN5O3S/c1-6-29(7-2)33(31,32)17-9-11-21-19(15-17)25-22(28(21)5)12-13-23(30)26-18-14-16(24)8-10-20(18)27(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,26,30)
InChIKeyXLCYFMQAWWUWJE-UHFFFAOYSA-N
MW492.05 g/mol
LogP3.89
Rot. Bonds9

About N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide (PubChem CID 55337333) has the molecular formula C23H30ClN5O3S and a molecular weight of 492.05 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
PubChem CID55337333
Molecular FormulaC23H30ClN5O3S
Molecular Weight492.05 g/mol
Exact Mass491.18
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(Cl)ccc1N(C)C)n2C
InChIInChI=1S/C23H30ClN5O3S/c1-6-29(7-2)33(31,32)17-9-11-21-19(15-17)25-22(28(21)5)12-13-23(30)26-18-14-16(24)8-10-20(18)27(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,26,30)
InChIKeyXLCYFMQAWWUWJE-UHFFFAOYSA-N
XLogP3.89
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.05
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 4816221
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
N-(4-chlorophenyl)-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 24580406
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42999113
N-[1-(3-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42998546
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]propanamide
CID 16565987
N-[(2S)-1-aminopropan-2-yl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide;hydrochloride
CID 120509123
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2S)-heptan-2-yl]propanamide
CID 29296719
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
CID 35325270
N-(5-chloro-2-methylphenyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
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3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide (CID 55337333) is N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(Cl)ccc1N(C)C)n2C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
The InChIKey is XLCYFMQAWWUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O3S/c1-6-29(7-2)33(31,32)17-9-11-21-19(15-17)25-22(28(21)5)12-13-23(30)26-18-14-16(24)8-10-20(18)27(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,26,30).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide has a molecular weight of 492.05 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 55337333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).