2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide

C15H19N3O2S — CID 709685

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C15H19N3O2S/c1-11(2)20-13-7-5-4-6-12(13)17-14(19)10-21-15-16-8-9-18(15)3/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyHNEVUCJXMUHKEH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.94
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 709685) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID709685
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C15H19N3O2S/c1-11(2)20-13-7-5-4-6-12(13)17-14(19)10-21-15-16-8-9-18(15)3/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyHNEVUCJXMUHKEH-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide (CID 709685) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CSc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is HNEVUCJXMUHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11(2)20-13-7-5-4-6-12(13)17-14(19)10-21-15-16-8-9-18(15)3/h4-9,11H,10H2,1-3H3,(H,17,19).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 709685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).