(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C19H21N3O2S — CID 6234930

IUPAC(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)19(24)16-6-2-3-7-17(16)20-18(23)9-8-15-5-4-14-25-15/h2-9,14H,10-13H2,1H3,(H,20,23)/b9-8+
InChIKeyZPOOBIVBXPWFLU-CMDGGOBGSA-N
MW355.46 g/mol
LogP2.79
Rot. Bonds4

About (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6234930) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6234930
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)19(24)16-6-2-3-7-17(16)20-18(23)9-8-15-5-4-14-25-15/h2-9,14H,10-13H2,1H3,(H,20,23)/b9-8+
InChIKeyZPOOBIVBXPWFLU-CMDGGOBGSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(azepane-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234393
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234926
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
(E)-4,4-dimethyl-N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]pent-2-enamide
CID 75407410
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
(E)-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 6234931
N-(2-methylpropyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 18089963
N-benzyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6233590
(E)-N-(3-chloro-2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 896718
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
(Z)-N-(2,3-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2163432

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 6234930) is (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide is CN1CCN(C(=O)c2ccccc2NC(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZPOOBIVBXPWFLU-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-21-10-12-22(13-11-21)19(24)16-6-2-3-7-17(16)20-18(23)9-8-15-5-4-14-25-15/h2-9,14H,10-13H2,1H3,(H,20,23)/b9-8+.
What are the key properties of (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 355.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).