3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide

C19H19N3O2S — CID 55767322

IUPAC3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc(OCCn3cccn3)c2)s1
InChIInChI=1S/C19H19N3O2S/c1-15-6-7-18(25-15)8-9-19(23)21-16-4-2-5-17(14-16)24-13-12-22-11-3-10-20-22/h2-11,14H,12-13H2,1H3,(H,21,23)
InChIKeyRDRGBAQAVQUOTO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.98
Rot. Bonds7

About 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide

3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide (PubChem CID 55767322) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide
PubChem CID55767322
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc(OCCn3cccn3)c2)s1
InChIInChI=1S/C19H19N3O2S/c1-15-6-7-18(25-15)8-9-19(23)21-16-4-2-5-17(14-16)24-13-12-22-11-3-10-20-22/h2-11,14H,12-13H2,1H3,(H,21,23)
InChIKeyRDRGBAQAVQUOTO-UHFFFAOYSA-N
XLogP3.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[2-(methylamino)ethoxy]phenyl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enamide
CID 166276681
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
methyl 2-ethyl-4-methyl-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55767652
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
3-(1,3-benzothiazol-2-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]prop-2-enamide
CID 76865936
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55968780

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide (CID 55767322) is 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cccc(OCCn3cccn3)c2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide?
The InChIKey is RDRGBAQAVQUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-15-6-7-18(25-15)8-9-19(23)21-16-4-2-5-17(14-16)24-13-12-22-11-3-10-20-22/h2-11,14H,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide?
3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide has a molecular weight of 353.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 55767322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).