(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide

C19H21FN2O2S — CID 52510644

IUPAC(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide
SMILESC=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(C)=O)c1cccs1
InChIInChI=1S/C19H21FN2O2S/c1-3-10-22(13-15-7-4-5-8-16(15)20)19(24)12-17(21-14(2)23)18-9-6-11-25-18/h3-9,11,17H,1,10,12-13H2,2H3,(H,21,23)/t17-/m0/s1
InChIKeyOAWNYKWKNWJDOY-KRWDZBQOSA-N
MW360.45 g/mol
LogP3.67
Rot. Bonds8

About (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide

(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide (PubChem CID 52510644) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide
PubChem CID52510644
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide
SMILESC=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(C)=O)c1cccs1
InChIInChI=1S/C19H21FN2O2S/c1-3-10-22(13-15-7-4-5-8-16(15)20)19(24)12-17(21-14(2)23)18-9-6-11-25-18/h3-9,11,17H,1,10,12-13H2,2H3,(H,21,23)/t17-/m0/s1
InChIKeyOAWNYKWKNWJDOY-KRWDZBQOSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.67
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-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 29432857
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-3-phenyl-N-prop-2-enylpropanamide
CID 78792303
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 51314164
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
CID 38744358
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide (CID 52510644) is (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide is C=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(C)=O)c1cccs1.
What is the InChIKey of (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide?
The InChIKey is OAWNYKWKNWJDOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-3-10-22(13-15-7-4-5-8-16(15)20)19(24)12-17(21-14(2)23)18-9-6-11-25-18/h3-9,11,17H,1,10,12-13H2,2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide?
(3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide has a molecular weight of 360.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 52510644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).