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

C15H19N2O2S+ — CID 8965326

IUPAC[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCOc1cccc(NC(=O)C[NH+](C)Cc2cccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-17(10-14-7-4-8-20-14)11-15(18)16-12-5-3-6-13(9-12)19-2/h3-9H,10-11H2,1-2H3,(H,16,18)/p+1
InChIKeyPWZOIZGVOPIDAX-UHFFFAOYSA-O
MW291.40 g/mol
LogP1.41
Rot. Bonds6

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

[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8965326) has the molecular formula C15H19N2O2S+ and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8965326
Molecular FormulaC15H19N2O2S+
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCOc1cccc(NC(=O)C[NH+](C)Cc2cccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-17(10-14-7-4-8-20-14)11-15(18)16-12-5-3-6-13(9-12)19-2/h3-9H,10-11H2,1-2H3,(H,16,18)/p+1
InChIKeyPWZOIZGVOPIDAX-UHFFFAOYSA-O
XLogP1.41
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003149
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8966062
(2,4-dichlorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9196917
(2-chloro-6-fluorophenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9197236
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9252639
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
2-(4-bromophenoxy)ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9288794
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2567998
[(2S)-2-hydroxy-2-phenylethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9248212

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8965326) is [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is COc1cccc(NC(=O)C[NH+](C)Cc2cccs2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is PWZOIZGVOPIDAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O2S/c1-17(10-14-7-4-8-20-14)11-15(18)16-12-5-3-6-13(9-12)19-2/h3-9H,10-11H2,1-2H3,(H,16,18)/p+1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 291.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8965326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).