N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide

C14H17N3OS — CID 4275414

IUPACN-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nccn1C)c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-3-17(12-7-5-4-6-8-12)13(18)11-19-14-15-9-10-16(14)2/h4-10H,3,11H2,1-2H3
InChIKeySOBMSUZGPKVYSL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide

N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 4275414) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide
PubChem CID4275414
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nccn1C)c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-3-17(12-7-5-4-6-8-12)13(18)11-19-14-15-9-10-16(14)2/h4-10H,3,11H2,1-2H3
InChIKeySOBMSUZGPKVYSL-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide (CID 4275414) is N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide is CCN(C(=O)CSc1nccn1C)c1ccccc1.
What is the InChIKey of N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is SOBMSUZGPKVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-17(12-7-5-4-6-8-12)13(18)11-19-14-15-9-10-16(14)2/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide?
N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 4275414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).