3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C19H17N5O3S2 — CID 25390413

IUPAC3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17N5O3S2/c25-18(9-11-24-13-21-16-3-1-2-4-17(16)24)22-14-5-7-15(8-6-14)29(26,27)23-19-20-10-12-28-19/h1-8,10,12-13H,9,11H2,(H,20,23)(H,22,25)
InChIKeyQZOCPJOKATWYMF-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.32
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 25390413) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID25390413
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC Name3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H17N5O3S2/c25-18(9-11-24-13-21-16-3-1-2-4-17(16)24)22-14-5-7-15(8-6-14)29(26,27)23-19-20-10-12-28-19/h1-8,10,12-13H,9,11H2,(H,20,23)(H,22,25)
InChIKeyQZOCPJOKATWYMF-UHFFFAOYSA-N
XLogP3.32
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(4-iodo-5-methylpyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19551980
4-(2-aminophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 84553695
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 50777025
2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4551050
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 36840698
2-(1H-benzimidazol-2-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544255

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 25390413) is 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is O=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is QZOCPJOKATWYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c25-18(9-11-24-13-21-16-3-1-2-4-17(16)24)22-14-5-7-15(8-6-14)29(26,27)23-19-20-10-12-28-19/h1-8,10,12-13H,9,11H2,(H,20,23)(H,22,25).
What are the key properties of 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 427.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 25390413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).