N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C14H17N3O2S — CID 677762

IUPACN-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-6-4-11(5-7-12)16-13(18)10-20-14-15-8-9-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyMSGXGVDUOVUKLP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.55
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 677762) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID677762
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2C)cc1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-6-4-11(5-7-12)16-13(18)10-20-14-15-8-9-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyMSGXGVDUOVUKLP-UHFFFAOYSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 677762) is N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nccn2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is MSGXGVDUOVUKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-12-6-4-11(5-7-12)16-13(18)10-20-14-15-8-9-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 677762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).