(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide

C20H23N3O2S — CID 110615133

IUPAC(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CC1
InChIInChI=1S/C20H23N3O2S/c1-15(14-19-4-3-13-26-19)20(25)21-17-5-7-18(8-6-17)23-11-9-22(10-12-23)16(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)/b15-14+
InChIKeyYNJMCDQKHJVSPP-CCEZHUSRSA-N
MW369.49 g/mol
LogP3.46
Rot. Bonds4

About (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 110615133) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID110615133
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CC1
InChIInChI=1S/C20H23N3O2S/c1-15(14-19-4-3-13-26-19)20(25)21-17-5-7-18(8-6-17)23-11-9-22(10-12-23)16(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)/b15-14+
InChIKeyYNJMCDQKHJVSPP-CCEZHUSRSA-N
XLogP3.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
(E)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 110298550
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 110410928
2-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168609131
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
CID 110406324
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4508683
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanesulfonamide
CID 112502848
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 1056022
N-[4-[4-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]benzoyl]phenyl]thiophene-2-carboxamide
CID 67687012

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide (CID 110615133) is (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide is CC(=O)N1CCN(c2ccc(NC(=O)/C(C)=C/c3cccs3)cc2)CC1.
What is the InChIKey of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YNJMCDQKHJVSPP-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15(14-19-4-3-13-26-19)20(25)21-17-5-7-18(8-6-17)23-11-9-22(10-12-23)16(2)24/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)/b15-14+.
What are the key properties of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 369.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110615133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).