N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide

C10H14F2N2O2S — CID 114153789

IUPACN-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O2S/c1-7(16)14-8-2-3-17-9(8)4-13-5-10(11,12)6-15/h2-3,13,15H,4-6H2,1H3,(H,14,16)
InChIKeyMOPMQFCOXUXGJF-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.42
Rot. Bonds6

About N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide

N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide (PubChem CID 114153789) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide
PubChem CID114153789
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O2S/c1-7(16)14-8-2-3-17-9(8)4-13-5-10(11,12)6-15/h2-3,13,15H,4-6H2,1H3,(H,14,16)
InChIKeyMOPMQFCOXUXGJF-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide (CID 114153789) is N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC(F)(F)CO.
What is the InChIKey of N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide?
The InChIKey is MOPMQFCOXUXGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-7(16)14-8-2-3-17-9(8)4-13-5-10(11,12)6-15/h2-3,13,15H,4-6H2,1H3,(H,14,16).
What are the key properties of N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide?
N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide has a molecular weight of 264.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 114153789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).