2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide

C18H18F2N2O2S — CID 32769873

IUPAC2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
SMILESC=CCN(Cc1cccs1)C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2S/c1-2-9-22(12-14-4-3-10-25-14)17(23)7-8-21-18(24)15-6-5-13(19)11-16(15)20/h2-6,10-11H,1,7-9,12H2,(H,21,24)
InChIKeyGZSAUKSJYCIEEX-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.36
Rot. Bonds8

About 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide

2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide (PubChem CID 32769873) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
PubChem CID32769873
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
SMILESC=CCN(Cc1cccs1)C(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2S/c1-2-9-22(12-14-4-3-10-25-14)17(23)7-8-21-18(24)15-6-5-13(19)11-16(15)20/h2-6,10-11H,1,7-9,12H2,(H,21,24)
InChIKeyGZSAUKSJYCIEEX-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330561
2-chloro-4-fluoro-N-[3-oxo-3-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 55756885
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
CID 24657377
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]azanium
CID 8594394
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 27282781
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
2,4-difluoro-N-[4-oxo-4-[[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butyl]benzamide
CID 55535820

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide (CID 32769873) is 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide is C=CCN(Cc1cccs1)C(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide?
The InChIKey is GZSAUKSJYCIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-2-9-22(12-14-4-3-10-25-14)17(23)7-8-21-18(24)15-6-5-13(19)11-16(15)20/h2-6,10-11H,1,7-9,12H2,(H,21,24).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide is sourced from PubChem (CID 32769873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).