N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H17N3O3S — CID 1131797

IUPACN-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C18H17N3O3S/c1-11(22)12-3-5-13(6-4-12)19-17(23)10-25-18-20-15-8-7-14(24-2)9-16(15)21-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyWPHUVUISBVYALM-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.50
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 1131797) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID1131797
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C18H17N3O3S/c1-11(22)12-3-5-13(6-4-12)19-17(23)10-25-18-20-15-8-7-14(24-2)9-16(15)21-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyWPHUVUISBVYALM-UHFFFAOYSA-N
XLogP3.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 1131797) is N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2c1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WPHUVUISBVYALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(22)12-3-5-13(6-4-12)19-17(23)10-25-18-20-15-8-7-14(24-2)9-16(15)21-18/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1131797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).