(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide

C11H14F2N2O3S — CID 23648628

IUPAC(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(=O)N[C@H](COC(F)F)C(=O)NCc1ccsc1
InChIInChI=1S/C11H14F2N2O3S/c1-7(16)15-9(5-18-11(12)13)10(17)14-4-8-2-3-19-6-8/h2-3,6,9,11H,4-5H2,1H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyVPPMQNVZPWTXGM-SECBINFHSA-N
MW292.31 g/mol
LogP1.11
Rot. Bonds7

About (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide

(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 23648628) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID23648628
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(=O)N[C@H](COC(F)F)C(=O)NCc1ccsc1
InChIInChI=1S/C11H14F2N2O3S/c1-7(16)15-9(5-18-11(12)13)10(17)14-4-8-2-3-19-6-8/h2-3,6,9,11H,4-5H2,1H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyVPPMQNVZPWTXGM-SECBINFHSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide (CID 23648628) is (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide is CC(=O)N[C@H](COC(F)F)C(=O)NCc1ccsc1.
What is the InChIKey of (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is VPPMQNVZPWTXGM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-7(16)15-9(5-18-11(12)13)10(17)14-4-8-2-3-19-6-8/h2-3,6,9,11H,4-5H2,1H3,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide?
(2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 292.31 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(difluoromethoxy)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 23648628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).