N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H14N4O2S — CID 666532

IUPACN-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1
InChIInChI=1S/C17H14N4O2S/c1-23-12-6-7-14-15(8-12)21-17(20-14)24-10-16(22)19-13-5-3-2-4-11(13)9-18/h2-8H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyWDSGUKKNVUKPOL-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.17
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 666532) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID666532
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1
InChIInChI=1S/C17H14N4O2S/c1-23-12-6-7-14-15(8-12)21-17(20-14)24-10-16(22)19-13-5-3-2-4-11(13)9-18/h2-8H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyWDSGUKKNVUKPOL-UHFFFAOYSA-N
XLogP3.17
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 666532) is N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WDSGUKKNVUKPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-23-12-6-7-14-15(8-12)21-17(20-14)24-10-16(22)19-13-5-3-2-4-11(13)9-18/h2-8H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 666532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).