[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

C15H17F2N2O2S+ — CID 8966062

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccs1
InChIInChI=1S/C15H16F2N2O2S/c1-19(9-13-3-2-8-22-13)10-14(20)18-11-4-6-12(7-5-11)21-15(16)17/h2-8,15H,9-10H2,1H3,(H,18,20)/p+1
InChIKeyXSDKMIVKYQXBFT-UHFFFAOYSA-O
MW327.38 g/mol
LogP2.00
Rot. Bonds7

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8966062) has the molecular formula C15H17F2N2O2S+ and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8966062
Molecular FormulaC15H17F2N2O2S+
Molecular Weight327.38 g/mol
Exact Mass327.10
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccs1
InChIInChI=1S/C15H16F2N2O2S/c1-19(9-13-3-2-8-22-13)10-14(20)18-11-4-6-12(7-5-11)21-15(16)17/h2-8,15H,9-10H2,1H3,(H,18,20)/p+1
InChIKeyXSDKMIVKYQXBFT-UHFFFAOYSA-O
XLogP2.00
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055274
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965586
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 9196740
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8966062) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is C[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1cccs1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is XSDKMIVKYQXBFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16F2N2O2S/c1-19(9-13-3-2-8-22-13)10-14(20)18-11-4-6-12(7-5-11)21-15(16)17/h2-8,15H,9-10H2,1H3,(H,18,20)/p+1.
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 327.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8966062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).