2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide

C18H19N3O2S2 — CID 4776370

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ccccc3SC)[nH]c2c1
InChIInChI=1S/C18H19N3O2S2/c1-3-23-12-8-9-13-15(10-12)21-18(20-13)25-11-17(22)19-14-6-4-5-7-16(14)24-2/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRFSCRHDUJYDANS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.41
Rot. Bonds7

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 4776370) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID4776370
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3ccccc3SC)[nH]c2c1
InChIInChI=1S/C18H19N3O2S2/c1-3-23-12-8-9-13-15(10-12)21-18(20-13)25-11-17(22)19-14-6-4-5-7-16(14)24-2/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRFSCRHDUJYDANS-UHFFFAOYSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide (CID 4776370) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide is CCOc1ccc2nc(SCC(=O)Nc3ccccc3SC)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is RFSCRHDUJYDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-3-23-12-8-9-13-15(10-12)21-18(20-13)25-11-17(22)19-14-6-4-5-7-16(14)24-2/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 4776370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).