[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium

C16H19Cl2N2OS+ — CID 8718441

IUPAC[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2OS/c1-3-20(10-13-5-4-8-22-13)11(2)16(21)19-15-9-12(17)6-7-14(15)18/h4-9,11H,3,10H2,1-2H3,(H,19,21)/p+1/t11-/m1/s1
InChIKeyFGFILODHEMBDJU-LLVKDONJSA-O
MW358.31 g/mol
LogP3.49
Rot. Bonds6

About [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8718441) has the molecular formula C16H19Cl2N2OS+ and a molecular weight of 358.31 g/mol. Its IUPAC name is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8718441
Molecular FormulaC16H19Cl2N2OS+
Molecular Weight358.31 g/mol
Exact Mass357.06
IUPAC Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2OS/c1-3-20(10-13-5-4-8-22-13)11(2)16(21)19-15-9-12(17)6-7-14(15)18/h4-9,11H,3,10H2,1-2H3,(H,19,21)/p+1/t11-/m1/s1
InChIKeyFGFILODHEMBDJU-LLVKDONJSA-O
XLogP3.49
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8769698
[(2S)-1-anilino-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718586
(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8516902
ethyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718537
ethyl-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718491
(2R)-N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8720728
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516814
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylacetate
CID 7798766
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8718441) is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is FGFILODHEMBDJU-LLVKDONJSA-O. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-3-20(10-13-5-4-8-22-13)11(2)16(21)19-15-9-12(17)6-7-14(15)18/h4-9,11H,3,10H2,1-2H3,(H,19,21)/p+1/t11-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 358.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).