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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(Tert-butyl)benzoyl]-3-(2-thienyl)acrylonitrile
CID 5715389
(E)-2-benzoyl-3-thiophen-2-ylprop-2-enenitrile
CID 5939422
2-[1-(2-Methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
CID 3723106
Carbamodithioic acid, diethyl-, 3-oxo-1-phenyl-3-(2-thienyl)-1-propenyl ester
CID 6435701
Ethanaminium, N-ethyl-N-(4-(2-oxo-2-(2-thienyl)ethyl)-4-phenyl-1,3-dithietan-2-ylidine)-, perchlorate
CID 13661409
3,3-Bis(methylsulfanyl)-2-[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]prop-2-enenitrile
CID 2740339
3-methylsulfanyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile
CID 2820190
4-Methyl-5-(2-oxo-2-(2-thienyl)ethyl)-2-phenyl-6-thioxocyclohexa-1,3-dienecarb onitrile
CID 4019005
4-Oxo-2-phenyl-4-thiophen-2-ylbutanenitrile
CID 2747666
5-[3-(Dimethylamino)prop-2-enoyl]-2-methylsulfanyl-4-thiophen-2-ylthiophene-3-carbonitrile
CID 2821088
5-[(E)-3-(dimethylamino)prop-2-enoyl]-2-methylsulfanyl-4-thiophen-2-ylthiophene-3-carbonitrile
CID 5715780
6-(4-methylphenyl)-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbonitrile
CID 2820211

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).