2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide

C14H14N2O2S — CID 114233841

IUPAC2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(C#N)cc1SCC(=O)NC1CC1
InChIInChI=1S/C14H14N2O2S/c1-9(17)12-5-2-10(7-15)6-13(12)19-8-14(18)16-11-3-4-11/h2,5-6,11H,3-4,8H2,1H3,(H,16,18)
InChIKeyKVFDFCUGUKMWEY-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.13
Rot. Bonds5

About 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide

2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide (PubChem CID 114233841) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide
PubChem CID114233841
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide
SMILESCC(=O)c1ccc(C#N)cc1SCC(=O)NC1CC1
InChIInChI=1S/C14H14N2O2S/c1-9(17)12-5-2-10(7-15)6-13(12)19-8-14(18)16-11-3-4-11/h2,5-6,11H,3-4,8H2,1H3,(H,16,18)
InChIKeyKVFDFCUGUKMWEY-UHFFFAOYSA-N
XLogP2.13
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide (CID 114233841) is 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide is CC(=O)c1ccc(C#N)cc1SCC(=O)NC1CC1.
What is the InChIKey of 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is KVFDFCUGUKMWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9(17)12-5-2-10(7-15)6-13(12)19-8-14(18)16-11-3-4-11/h2,5-6,11H,3-4,8H2,1H3,(H,16,18).
What are the key properties of 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide?
2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-cyanophenyl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114233841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).