N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide

C15H14F2N2O3S — CID 112769583

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccs1
InChIInChI=1S/C15H14F2N2O3S/c1-9(13-3-2-6-23-13)18-8-14(20)19-10-4-5-11-12(7-10)22-15(16,17)21-11/h2-7,9,18H,8H2,1H3,(H,19,20)
InChIKeyRFAWRJAIYJXUPG-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.36
Rot. Bonds5

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide (PubChem CID 112769583) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide
PubChem CID112769583
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccs1
InChIInChI=1S/C15H14F2N2O3S/c1-9(13-3-2-6-23-13)18-8-14(20)19-10-4-5-11-12(7-10)22-15(16,17)21-11/h2-7,9,18H,8H2,1H3,(H,19,20)
InChIKeyRFAWRJAIYJXUPG-UHFFFAOYSA-N
XLogP3.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8906546
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 41142715
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906545
N-(2,6-dichlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81407882
2-[[(1R)-1-phenylethyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9248531
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoylamino]butanoic acid
CID 61185302
2-chloro-N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]benzamide
CID 26954210
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051783
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833514

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide (CID 112769583) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide is CC(NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccs1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide?
The InChIKey is RFAWRJAIYJXUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-9(13-3-2-6-23-13)18-8-14(20)19-10-4-5-11-12(7-10)22-15(16,17)21-11/h2-7,9,18H,8H2,1H3,(H,19,20).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide has a molecular weight of 340.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-thiophen-2-ylethylamino)acetamide is sourced from PubChem (CID 112769583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).