methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium

C16H20N3O2S+ — CID 8517042

IUPACmethyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
SMILESCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1cccs1
InChIInChI=1S/C16H19N3O2S/c1-17-16(21)18-15(20)14(12-7-4-3-5-8-12)19(2)11-13-9-6-10-22-13/h3-10,14H,11H2,1-2H3,(H2,17,18,20,21)/p+1/t14-/m1/s1
InChIKeyINDXPFILIDMQPS-CQSZACIVSA-O
MW318.42 g/mol
LogP0.96
Rot. Bonds5

About methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium

methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8517042) has the molecular formula C16H20N3O2S+ and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namemethyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8517042
Molecular FormulaC16H20N3O2S+
Molecular Weight318.42 g/mol
Exact Mass318.13
IUPAC Namemethyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
SMILESCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1cccs1
InChIInChI=1S/C16H19N3O2S/c1-17-16(21)18-15(20)14(12-7-4-3-5-8-12)19(2)11-13-9-6-10-22-13/h3-10,14H,11H2,1-2H3,(H2,17,18,20,21)/p+1/t14-/m1/s1
InChIKeyINDXPFILIDMQPS-CQSZACIVSA-O
XLogP0.96
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8516839
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516849
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
CID 8810227
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516835
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-thiophen-2-ylpropanoate
CID 8533898
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7509403
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-thiophen-2-ylbutanoate
CID 7962901
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
(2S)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 41088724
(2R)-N-(methylcarbamoyl)-2-phenyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41208897

Frequently Asked Questions

What is the IUPAC name of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium (CID 8517042) is methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium is CNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+](C)Cc1cccs1.
What is the InChIKey of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is INDXPFILIDMQPS-CQSZACIVSA-O. The full InChI is InChI=1S/C16H19N3O2S/c1-17-16(21)18-15(20)14(12-7-4-3-5-8-12)19(2)11-13-9-6-10-22-13/h3-10,14H,11H2,1-2H3,(H2,17,18,20,21)/p+1/t14-/m1/s1.
What are the key properties of methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium?
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 318.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8517042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).