2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

C15H15F3N2OS — CID 24685979

IUPAC2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1cccs1
InChIInChI=1S/C15H15F3N2OS/c1-9(20(2)8-10-4-3-7-22-10)15(21)19-12-6-5-11(16)13(17)14(12)18/h3-7,9H,8H2,1-2H3,(H,19,21)
InChIKeyMDNCORLJMQCMFK-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.62
Rot. Bonds5

About 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 24685979) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID24685979
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1cccs1
InChIInChI=1S/C15H15F3N2OS/c1-9(20(2)8-10-4-3-7-22-10)15(21)19-12-6-5-11(16)13(17)14(12)18/h3-7,9H,8H2,1-2H3,(H,19,21)
InChIKeyMDNCORLJMQCMFK-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (CID 24685979) is 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is MDNCORLJMQCMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-9(20(2)8-10-4-3-7-22-10)15(21)19-12-6-5-11(16)13(17)14(12)18/h3-7,9H,8H2,1-2H3,(H,19,21).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 328.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 24685979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).