2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide

C13H12F2N2O2S — CID 115286009

IUPAC2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C13H12F2N2O2S/c14-13(15)19-9-5-3-8(4-6-9)17-12(18)11(16)10-2-1-7-20-10/h1-7,11,13H,16H2,(H,17,18)
InChIKeyVOBMAKKRQCMWJI-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide

2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 115286009) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide
PubChem CID115286009
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C13H12F2N2O2S/c14-13(15)19-9-5-3-8(4-6-9)17-12(18)11(16)10-2-1-7-20-10/h1-7,11,13H,16H2,(H,17,18)
InChIKeyVOBMAKKRQCMWJI-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
2-amino-2-thiophen-2-yl-N-thiophen-3-ylacetamide
CID 115287455
2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 115286247
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811
2-amino-N-(2-fluoro-5-methoxyphenyl)-2-thiophen-2-ylacetamide
CID 115287518
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 75621361
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107340921
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8966062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide (CID 115286009) is 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide is NC(C(=O)Nc1ccc(OC(F)F)cc1)c1cccs1.
What is the InChIKey of 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is VOBMAKKRQCMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-13(15)19-9-5-3-8(4-6-9)17-12(18)11(16)10-2-1-7-20-10/h1-7,11,13H,16H2,(H,17,18).
What are the key properties of 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide?
2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 298.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).