ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium

C24H29N2O3S+ — CID 8744954

IUPACethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C24H28N2O3S/c1-4-26(16-24(27)25-21-10-6-5-8-18(21)2)15-19-11-12-22(23(14-19)28-3)29-17-20-9-7-13-30-20/h5-14H,4,15-17H2,1-3H3,(H,25,27)/p+1
InChIKeyHENXAEBKHXFXIP-UHFFFAOYSA-O
MW425.57 g/mol
LogP3.69
Rot. Bonds10

About ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium

ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium (PubChem CID 8744954) has the molecular formula C24H29N2O3S+ and a molecular weight of 425.57 g/mol. Its IUPAC name is ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
PubChem CID8744954
Molecular FormulaC24H29N2O3S+
Molecular Weight425.57 g/mol
Exact Mass425.19
IUPAC Nameethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C24H28N2O3S/c1-4-26(16-24(27)25-21-10-6-5-8-18(21)2)15-19-11-12-22(23(14-19)28-3)29-17-20-9-7-13-30-20/h5-14H,4,15-17H2,1-3H3,(H,25,27)/p+1
InChIKeyHENXAEBKHXFXIP-UHFFFAOYSA-O
XLogP3.69
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
CID 8744955
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924053
ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924086
ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8924090
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
[2-(2,5-dimethylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349145
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656783
(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
CID 8924044
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride
CID 19644504

Frequently Asked Questions

What is the IUPAC name of ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium (CID 8744954) is ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1C)Cc1ccc(OCc2cccs2)c(OC)c1.
What is the InChIKey of ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium?
The InChIKey is HENXAEBKHXFXIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2O3S/c1-4-26(16-24(27)25-21-10-6-5-8-18(21)2)15-19-11-12-22(23(14-19)28-3)29-17-20-9-7-13-30-20/h5-14H,4,15-17H2,1-3H3,(H,25,27)/p+1.
What are the key properties of ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium?
ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium has a molecular weight of 425.57 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8744954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).