methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium

C18H19N2OS+ — CID 9054362

IUPACmethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccsc1
InChIInChI=1S/C18H18N2OS/c1-20(11-14-8-9-22-13-14)12-18(21)19-17-7-6-15-4-2-3-5-16(15)10-17/h2-10,13H,11-12H2,1H3,(H,19,21)/p+1
InChIKeyRMNZGNNZAIKLSX-UHFFFAOYSA-O
MW311.43 g/mol
LogP2.55
Rot. Bonds5

About methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium

methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium (PubChem CID 9054362) has the molecular formula C18H19N2OS+ and a molecular weight of 311.43 g/mol. Its IUPAC name is methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Namemethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium
PubChem CID9054362
Molecular FormulaC18H19N2OS+
Molecular Weight311.43 g/mol
Exact Mass311.12
IUPAC Namemethyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccsc1
InChIInChI=1S/C18H18N2OS/c1-20(11-14-8-9-22-13-14)12-18(21)19-17-7-6-15-4-2-3-5-16(15)10-17/h2-10,13H,11-12H2,1H3,(H,19,21)/p+1
InChIKeyRMNZGNNZAIKLSX-UHFFFAOYSA-O
XLogP2.55
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054520
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054938
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 8615093
[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 8925854
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054688
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054460
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9261608
methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9261664
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054944
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium?
The IUPAC name of methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium (CID 9054362) is methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium is C[NH+](CC(=O)Nc1ccc2ccccc2c1)Cc1ccsc1.
What is the InChIKey of methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium?
The InChIKey is RMNZGNNZAIKLSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N2OS/c1-20(11-14-8-9-22-13-14)12-18(21)19-17-7-6-15-4-2-3-5-16(15)10-17/h2-10,13H,11-12H2,1H3,(H,19,21)/p+1.
What are the key properties of methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium?
methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium has a molecular weight of 311.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 9054362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).