2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

C18H21FN2OS — CID 78842146

IUPAC2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)C(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C18H21FN2OS/c1-4-9-21(12-16-6-5-10-23-16)18(22)14(3)20-15-8-7-13(2)17(19)11-15/h4-8,10-11,14,20H,1,9,12H2,2-3H3
InChIKeyPSPFRSBXZUOTDC-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.21
Rot. Bonds7

About 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 78842146) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID78842146
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)C(C)Nc1ccc(C)c(F)c1
InChIInChI=1S/C18H21FN2OS/c1-4-9-21(12-16-6-5-10-23-16)18(22)14(3)20-15-8-7-13(2)17(19)11-15/h4-8,10-11,14,20H,1,9,12H2,2-3H3
InChIKeyPSPFRSBXZUOTDC-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.21
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

2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 78841830
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3466924
2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 32769873
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]azanium
CID 8594394
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907626
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 86868228
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-difluorophenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4256505
2-(3-fluoro-4-methylanilino)-N-(4-methylphenyl)propanamide
CID 60638752
2-(3-fluoro-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43087306

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (CID 78842146) is 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is C=CCN(Cc1cccs1)C(=O)C(C)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PSPFRSBXZUOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-4-9-21(12-16-6-5-10-23-16)18(22)14(3)20-15-8-7-13(2)17(19)11-15/h4-8,10-11,14,20H,1,9,12H2,2-3H3.
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 332.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 78842146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).