(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

C26H24N4O3S — CID 33256285

IUPAC(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C26H24N4O3S/c1-29(2)25(32)18-33-22-13-11-20(12-14-22)27-24(31)15-10-19-17-30(21-7-4-3-5-8-21)28-26(19)23-9-6-16-34-23/h3-17H,18H2,1-2H3,(H,27,31)/b15-10+
InChIKeyKFGPXTQOFHVPPA-XNTDXEJSSA-N
MW472.57 g/mol
LogP4.72
Rot. Bonds8

About (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 33256285) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
PubChem CID33256285
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C26H24N4O3S/c1-29(2)25(32)18-33-22-13-11-20(12-14-22)27-24(31)15-10-19-17-30(21-7-4-3-5-8-21)28-26(19)23-9-6-16-34-23/h3-17H,18H2,1-2H3,(H,27,31)/b15-10+
InChIKeyKFGPXTQOFHVPPA-XNTDXEJSSA-N
XLogP4.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide 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

(E)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 60553559
(E)-N-methyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 55642608
(Z)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2176598
(E)-N-[[4-(carbamoylamino)phenyl]methyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 55510750
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 26243311
N-(2-phenylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 4022012
[2-(ethylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
CID 2085670
(E)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 75535278
(E)-N-(furan-2-ylmethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2406222
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 32942890
[2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
CID 9491304
pyridin-2-ylmethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
CID 41479337

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (CID 33256285) is (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is CN(C)C(=O)COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is KFGPXTQOFHVPPA-XNTDXEJSSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-29(2)25(32)18-33-22-13-11-20(12-14-22)27-24(31)15-10-19-17-30(21-7-4-3-5-8-21)28-26(19)23-9-6-16-34-23/h3-17H,18H2,1-2H3,(H,27,31)/b15-10+.
What are the key properties of (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 472.57 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 33256285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).