2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

C12H15N3O2S — CID 729797

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC2=NCCN2)cc1
InChIInChI=1S/C12H15N3O2S/c1-17-10-4-2-9(3-5-10)15-11(16)8-18-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyAQWFCAOIKADLPX-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.33
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 729797) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
PubChem CID729797
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC2=NCCN2)cc1
InChIInChI=1S/C12H15N3O2S/c1-17-10-4-2-9(3-5-10)15-11(16)8-18-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyAQWFCAOIKADLPX-UHFFFAOYSA-N
XLogP1.33
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 134064767
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 45133479
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide
CID 134064573
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 936817
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 3794006
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide (CID 729797) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSC2=NCCN2)cc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is AQWFCAOIKADLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-17-10-4-2-9(3-5-10)15-11(16)8-18-12-13-6-7-14-12/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 729797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).