3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

C22H26N6O3S2 — CID 60551496

IUPAC3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(-c3cccs3)[nH]n1)n2C
InChIInChI=1S/C22H26N6O3S2/c1-4-28(5-2)33(30,31)15-8-9-18-16(13-15)23-21(27(18)3)10-11-22(29)24-20-14-17(25-26-20)19-7-6-12-32-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H2,24,25,26,29)
InChIKeyYGWWDHYRVYVRJF-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.63
Rot. Bonds9

About 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 60551496) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID60551496
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC Name3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(-c3cccs3)[nH]n1)n2C
InChIInChI=1S/C22H26N6O3S2/c1-4-28(5-2)33(30,31)15-8-9-18-16(13-15)23-21(27(18)3)10-11-22(29)24-20-14-17(25-26-20)19-7-6-12-32-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H2,24,25,26,29)
InChIKeyYGWWDHYRVYVRJF-UHFFFAOYSA-N
XLogP3.63
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
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3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
N-(3-chloro-4-fluorophenyl)-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 4816221
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 34368790
N-[5-chloro-2-(dimethylamino)phenyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 55337333
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
CID 35325270
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-(4-morpholin-4-ylphenyl)propanamide
CID 4964891
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2S)-heptan-2-yl]propanamide
CID 29296719
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(1H-1,2,4-triazol-5-yl)propanamide
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3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (CID 60551496) is 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(-c3cccs3)[nH]n1)n2C.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is YGWWDHYRVYVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-4-28(5-2)33(30,31)15-8-9-18-16(13-15)23-21(27(18)3)10-11-22(29)24-20-14-17(25-26-20)19-7-6-12-32-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H2,24,25,26,29).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 486.62 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 60551496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).