3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

C20H22N6O3S2 — CID 52719532

IUPAC3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2cc(-c3cccs3)[nH]n2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H22N6O3S2/c1-2-9-26-16-6-5-13(31(21,28)29)11-14(16)22-19(26)7-8-20(27)23-18-12-15(24-25-18)17-4-3-10-30-17/h3-6,10-12H,2,7-9H2,1H3,(H2,21,28,29)(H2,23,24,25,27)
InChIKeyBYGZFKSVJJMGMG-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.12
Rot. Bonds8

About 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 52719532) has the molecular formula C20H22N6O3S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID52719532
Molecular FormulaC20H22N6O3S2
Molecular Weight458.57 g/mol
Exact Mass458.12
IUPAC Name3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCCCn1c(CCC(=O)Nc2cc(-c3cccs3)[nH]n2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H22N6O3S2/c1-2-9-26-16-6-5-13(31(21,28)29)11-14(16)22-19(26)7-8-20(27)23-18-12-15(24-25-18)17-4-3-10-30-17/h3-6,10-12H,2,7-9H2,1H3,(H2,21,28,29)(H2,23,24,25,27)
InChIKeyBYGZFKSVJJMGMG-UHFFFAOYSA-N
XLogP3.12
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (CID 52719532) is 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is CCCn1c(CCC(=O)Nc2cc(-c3cccs3)[nH]n2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is BYGZFKSVJJMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S2/c1-2-9-26-16-6-5-13(31(21,28)29)11-14(16)22-19(26)7-8-20(27)23-18-12-15(24-25-18)17-4-3-10-30-17/h3-6,10-12H,2,7-9H2,1H3,(H2,21,28,29)(H2,23,24,25,27).
What are the key properties of 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 458.57 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 52719532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).