(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C19H24N2OS — CID 46483058

IUPAC(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCCc1sc(C(=O)N2CCN(C)CC2c2ccccc2)cc1C
InChIInChI=1S/C19H24N2OS/c1-4-17-14(2)12-18(23-17)19(22)21-11-10-20(3)13-16(21)15-8-6-5-7-9-15/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyYEBBZQSXECHPQT-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.75
Rot. Bonds3

About (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 46483058) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID46483058
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCCc1sc(C(=O)N2CCN(C)CC2c2ccccc2)cc1C
InChIInChI=1S/C19H24N2OS/c1-4-17-14(2)12-18(23-17)19(22)21-11-10-20(3)13-16(21)15-8-6-5-7-9-15/h5-9,12,16H,4,10-11,13H2,1-3H3
InChIKeyYEBBZQSXECHPQT-UHFFFAOYSA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone 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

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-(5-nitro-1-benzothiophen-2-yl)methanone
CID 46533962
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 171928264
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37334279
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
N-ethyl-4-methyl-3-(4-methyl-2-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 55532663
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 92589714
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 46483058) is (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is CCc1sc(C(=O)N2CCN(C)CC2c2ccccc2)cc1C.
What is the InChIKey of (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is YEBBZQSXECHPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-4-17-14(2)12-18(23-17)19(22)21-11-10-20(3)13-16(21)15-8-6-5-7-9-15/h5-9,12,16H,4,10-11,13H2,1-3H3.
What are the key properties of (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 328.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46483058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).