4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide

C19H17N3O3S — CID 35039501

IUPAC4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-15-9-7-14(8-10-15)18(24)22-17(23)12-26-19-20-11-16(21-19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyLPKRJSRXVYAOQN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.13
Rot. Bonds6

About 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide

4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide (PubChem CID 35039501) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
PubChem CID35039501
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-15-9-7-14(8-10-15)18(24)22-17(23)12-26-19-20-11-16(21-19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyLPKRJSRXVYAOQN-UHFFFAOYSA-N
XLogP3.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16896885
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35039860
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
4-butoxy-N-[2-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 18575399
N-[2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide
CID 7896619
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35040276
N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide (CID 35039501) is 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide is COc1ccc(C(=O)NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide?
The InChIKey is LPKRJSRXVYAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-15-9-7-14(8-10-15)18(24)22-17(23)12-26-19-20-11-16(21-19)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide?
4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide has a molecular weight of 367.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 35039501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).