2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide

C19H19N3O3S — CID 17447987

IUPAC2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O3S/c1-12(23)13-7-8-17(25-2)14(9-13)10-26-11-18(24)22-19-20-15-5-3-4-6-16(15)21-19/h3-9H,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyJBYMWSHYNHGTQC-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.65
Rot. Bonds7

About 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide (PubChem CID 17447987) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide
PubChem CID17447987
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C19H19N3O3S/c1-12(23)13-7-8-17(25-2)14(9-13)10-26-11-18(24)22-19-20-15-5-3-4-6-16(15)21-19/h3-9H,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyJBYMWSHYNHGTQC-UHFFFAOYSA-N
XLogP3.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
CID 113218284
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 24554303
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 24611831
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
N-(1H-benzimidazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18107989
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
CID 8637210

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide?
The IUPAC name of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide (CID 17447987) is 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide is COc1ccc(C(C)=O)cc1CSCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide?
The InChIKey is JBYMWSHYNHGTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12(23)13-7-8-17(25-2)14(9-13)10-26-11-18(24)22-19-20-15-5-3-4-6-16(15)21-19/h3-9H,10-11H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide?
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 17447987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).