N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide

C17H18F2N2O2S — CID 33073670

IUPACN-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1OC(F)F)Cc1cccs1
InChIInChI=1S/C17H18F2N2O2S/c1-2-9-21(11-13-6-5-10-24-13)12-16(22)20-14-7-3-4-8-15(14)23-17(18)19/h2-8,10,17H,1,9,11-12H2,(H,20,22)
InChIKeyAEZCQHKAEQDCSL-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.98
Rot. Bonds9

About N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 33073670) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID33073670
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1OC(F)F)Cc1cccs1
InChIInChI=1S/C17H18F2N2O2S/c1-2-9-21(11-13-6-5-10-24-13)12-16(22)20-14-7-3-4-8-15(14)23-17(18)19/h2-8,10,17H,1,9,11-12H2,(H,20,22)
InChIKeyAEZCQHKAEQDCSL-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
N-[2-(difluoromethoxy)phenyl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47534873
2-[benzyl(ethyl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29231169
N-(2-iodophenyl)-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31480058
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517
3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423887
N-(2-cyano-3-methylbutan-2-yl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 51199992
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 9298290
2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-N-prop-2-enylacetamide
CID 31480086
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
CID 51171423
3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate
CID 46694465

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide (CID 33073670) is N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide is C=CCN(CC(=O)Nc1ccccc1OC(F)F)Cc1cccs1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is AEZCQHKAEQDCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c1-2-9-21(11-13-6-5-10-24-13)12-16(22)20-14-7-3-4-8-15(14)23-17(18)19/h2-8,10,17H,1,9,11-12H2,(H,20,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide?
N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 33073670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).