[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium

C16H21N2O2S+ — CID 8516915

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccccc1NC(=O)[C@@H](C)[NH+](C)Cc1cccs1
InChIInChI=1S/C16H20N2O2S/c1-12(18(2)11-13-7-6-10-21-13)16(19)17-14-8-4-5-9-15(14)20-3/h4-10,12H,11H2,1-3H3,(H,17,19)/p+1/t12-/m1/s1
InChIKeyGSARPXXPYGFPQI-GFCCVEGCSA-O
MW305.42 g/mol
LogP1.80
Rot. Bonds6

About [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8516915) has the molecular formula C16H21N2O2S+ and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8516915
Molecular FormulaC16H21N2O2S+
Molecular Weight305.42 g/mol
Exact Mass305.13
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccccc1NC(=O)[C@@H](C)[NH+](C)Cc1cccs1
InChIInChI=1S/C16H20N2O2S/c1-12(18(2)11-13-7-6-10-21-13)16(19)17-14-8-4-5-9-15(14)20-3/h4-10,12H,11H2,1-3H3,(H,17,19)/p+1/t12-/m1/s1
InChIKeyGSARPXXPYGFPQI-GFCCVEGCSA-O
XLogP1.80
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516835
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506121
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054254
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
(2R)-N-(2-methoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 8720804
(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyphenyl)-2-(thiophen-2-ylmethyl)propanamide
CID 43811524
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9494600
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516879
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516885
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8516915) is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium is COc1ccccc1NC(=O)[C@@H](C)[NH+](C)Cc1cccs1.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is GSARPXXPYGFPQI-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H20N2O2S/c1-12(18(2)11-13-7-6-10-21-13)16(19)17-14-8-4-5-9-15(14)20-3/h4-10,12H,11H2,1-3H3,(H,17,19)/p+1/t12-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium?
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 305.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8516915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).