5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile

C19H22N2OS2 — CID 14119774

IUPAC5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile
SMILESCCN(CC)CCSc1sc(C(C)=O)c(-c2ccccc2)c1C#N
InChIInChI=1S/C19H22N2OS2/c1-4-21(5-2)11-12-23-19-16(13-20)17(18(24-19)14(3)22)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3
InChIKeyREYLZDSCLCTVPD-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.92
Rot. Bonds8

About 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile

5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile (PubChem CID 14119774) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile
PubChem CID14119774
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC Name5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile
SMILESCCN(CC)CCSc1sc(C(C)=O)c(-c2ccccc2)c1C#N
InChIInChI=1S/C19H22N2OS2/c1-4-21(5-2)11-12-23-19-16(13-20)17(18(24-19)14(3)22)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3
InChIKeyREYLZDSCLCTVPD-UHFFFAOYSA-N
XLogP4.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile (CID 14119774) is 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile is CCN(CC)CCSc1sc(C(C)=O)c(-c2ccccc2)c1C#N.
What is the InChIKey of 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile?
The InChIKey is REYLZDSCLCTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-4-21(5-2)11-12-23-19-16(13-20)17(18(24-19)14(3)22)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile?
5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile has a molecular weight of 358.53 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[2-(diethylamino)ethylsulfanyl]-4-phenylthiophene-3-carbonitrile is sourced from PubChem (CID 14119774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).