N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C14H17N3OS — CID 6472735

IUPACN-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCc1cccc(NC(=O)CSc2nccn2C)c1
InChIInChI=1S/C14H17N3OS/c1-3-11-5-4-6-12(9-11)16-13(18)10-19-14-15-7-8-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyQOEKRXRNNPBVBX-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.71
Rot. Bonds5

About N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 6472735) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID6472735
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCc1cccc(NC(=O)CSc2nccn2C)c1
InChIInChI=1S/C14H17N3OS/c1-3-11-5-4-6-12(9-11)16-13(18)10-19-14-15-7-8-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyQOEKRXRNNPBVBX-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 6472735) is N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCc1cccc(NC(=O)CSc2nccn2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is QOEKRXRNNPBVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-11-5-4-6-12(9-11)16-13(18)10-19-14-15-7-8-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6472735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).