N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C19H19N3O3S — CID 3244086

IUPACN-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-16-7-3-5-14(11-16)21-18(23)13-26-19-20-9-10-22(19)15-6-4-8-17(12-15)25-2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyGAIFYXAOGJZVTM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.62
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3244086) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3244086
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-16-7-3-5-14(11-16)21-18(23)13-26-19-20-9-10-22(19)15-6-4-8-17(12-15)25-2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyGAIFYXAOGJZVTM-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3244086) is N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is GAIFYXAOGJZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-7-3-5-14(11-16)21-18(23)13-26-19-20-9-10-22(19)15-6-4-8-17(12-15)25-2/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3244086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).