2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C18H16N6O3S2 — CID 70677565

IUPAC2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CNc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16N6O3S2/c25-16(11-20-17-22-14-3-1-2-4-15(14)23-17)21-12-5-7-13(8-6-12)29(26,27)24-18-19-9-10-28-18/h1-10H,11H2,(H,19,24)(H,21,25)(H2,20,22,23)
InChIKeyCRDZNCRGEVLKGL-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.87
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 70677565) has the molecular formula C18H16N6O3S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID70677565
Molecular FormulaC18H16N6O3S2
Molecular Weight428.50 g/mol
Exact Mass428.07
IUPAC Name2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CNc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16N6O3S2/c25-16(11-20-17-22-14-3-1-2-4-15(14)23-17)21-12-5-7-13(8-6-12)29(26,27)24-18-19-9-10-28-18/h1-10H,11H2,(H,19,24)(H,21,25)(H2,20,22,23)
InChIKeyCRDZNCRGEVLKGL-UHFFFAOYSA-N
XLogP2.87
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 70677565) is 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(CNc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CRDZNCRGEVLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S2/c25-16(11-20-17-22-14-3-1-2-4-15(14)23-17)21-12-5-7-13(8-6-12)29(26,27)24-18-19-9-10-28-18/h1-10H,11H2,(H,19,24)(H,21,25)(H2,20,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 70677565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).