N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C20H21N3O4S — CID 3243489

IUPACN-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H21N3O4S/c1-25-15-6-4-5-14(11-15)23-10-9-21-20(23)28-13-19(24)22-17-12-16(26-2)7-8-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyMBGUHKRUXYWWPI-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.63
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3243489) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3243489
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H21N3O4S/c1-25-15-6-4-5-14(11-15)23-10-9-21-20(23)28-13-19(24)22-17-12-16(26-2)7-8-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyMBGUHKRUXYWWPI-UHFFFAOYSA-N
XLogP3.63
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3243489) is N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(-n2ccnc2SCC(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is MBGUHKRUXYWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-25-15-6-4-5-14(11-15)23-10-9-21-20(23)28-13-19(24)22-17-12-16(26-2)7-8-18(17)27-3/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 399.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3243489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).