(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide

C20H25N3OS — CID 27050693

IUPAC(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN1CCN(c2ccc(NC(=O)/C=C/c3cccs3)cc2C)CC1
InChIInChI=1S/C20H25N3OS/c1-3-22-10-12-23(13-11-22)19-8-6-17(15-16(19)2)21-20(24)9-7-18-5-4-14-25-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,24)/b9-7+
InChIKeyKUOMDAYYTLDVHB-VQHVLOKHSA-N
MW355.51 g/mol
LogP3.85
Rot. Bonds5

About (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 27050693) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID27050693
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCN1CCN(c2ccc(NC(=O)/C=C/c3cccs3)cc2C)CC1
InChIInChI=1S/C20H25N3OS/c1-3-22-10-12-23(13-11-22)19-8-6-17(15-16(19)2)21-20(24)9-7-18-5-4-14-25-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,24)/b9-7+
InChIKeyKUOMDAYYTLDVHB-VQHVLOKHSA-N
XLogP3.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.85
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

(Z)-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 97359213
(E)-3-(1-benzyltriazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]prop-2-enamide
CID 24525550
2-pyrrolidin-1-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 6929118
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]prop-2-enamide
CID 24525515
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24525463
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(methanesulfonamido)benzamide
CID 41478998
(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 61015357

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide (CID 27050693) is (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide is CCN1CCN(c2ccc(NC(=O)/C=C/c3cccs3)cc2C)CC1.
What is the InChIKey of (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KUOMDAYYTLDVHB-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-3-22-10-12-23(13-11-22)19-8-6-17(15-16(19)2)21-20(24)9-7-18-5-4-14-25-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,24)/b9-7+.
What are the key properties of (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 355.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 27050693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).