N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide

C19H18ClN3O2S — CID 5166024

IUPACN-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-2-25-17-8-6-16(7-9-17)23-11-10-21-19(23)26-13-18(24)22-15-5-3-4-14(20)12-15/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyXUFUOOQORDOPOC-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.66
Rot. Bonds7

About N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 5166024) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID5166024
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-2-25-17-8-6-16(7-9-17)23-11-10-21-19(23)26-13-18(24)22-15-5-3-4-14(20)12-15/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyXUFUOOQORDOPOC-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 5166024) is N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide is CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is XUFUOOQORDOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-25-17-8-6-16(7-9-17)23-11-10-21-19(23)26-13-18(24)22-15-5-3-4-14(20)12-15/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 387.89 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 5166024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).