4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide

C19H19FN2O2S — CID 39083980

IUPAC4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-2-11-21-19(24)15-5-3-14(4-6-15)12-25-13-18(23)22-17-9-7-16(20)8-10-17/h2-10H,1,11-13H2,(H,21,24)(H,22,23)
InChIKeyANKFJUGMLHPMHN-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.61
Rot. Bonds8

About 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide

4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide (PubChem CID 39083980) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
PubChem CID39083980
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2S/c1-2-11-21-19(24)15-5-3-14(4-6-15)12-25-13-18(23)22-17-9-7-16(20)8-10-17/h2-10H,1,11-13H2,(H,21,24)(H,22,23)
InChIKeyANKFJUGMLHPMHN-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39084029
N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
CID 39083981
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoyl]piperidine-4-carboxylic acid
CID 39080456
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 16549241
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide (CID 39083980) is 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide?
The InChIKey is ANKFJUGMLHPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-2-11-21-19(24)15-5-3-14(4-6-15)12-25-13-18(23)22-17-9-7-16(20)8-10-17/h2-10H,1,11-13H2,(H,21,24)(H,22,23).
What are the key properties of 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide?
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 39083980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).