[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C15H19N2O3S+ — CID 7406588

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccc(NC(=O)C[NH2+]Cc2cccs2)c(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-19-11-5-6-13(14(8-11)20-2)17-15(18)10-16-9-12-4-3-7-21-12/h3-8,16H,9-10H2,1-2H3,(H,17,18)/p+1
InChIKeySIWBNLMEWQTAPI-UHFFFAOYSA-O
MW307.40 g/mol
LogP1.47
Rot. Bonds7

About [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 7406588) has the molecular formula C15H19N2O3S+ and a molecular weight of 307.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID7406588
Molecular FormulaC15H19N2O3S+
Molecular Weight307.40 g/mol
Exact Mass307.11
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccc(NC(=O)C[NH2+]Cc2cccs2)c(OC)c1
InChIInChI=1S/C15H18N2O3S/c1-19-11-5-6-13(14(8-11)20-2)17-15(18)10-16-9-12-4-3-7-21-12/h3-8,16H,9-10H2,1-2H3,(H,17,18)/p+1
InChIKeySIWBNLMEWQTAPI-UHFFFAOYSA-O
XLogP1.47
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529441
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052002
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 7666342
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-(2,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)urea
CID 42704946
N-(2,4-dimethoxyphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446731
N-(2,4-dimethoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17415661

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 7406588) is [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is COc1ccc(NC(=O)C[NH2+]Cc2cccs2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is SIWBNLMEWQTAPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O3S/c1-19-11-5-6-13(14(8-11)20-2)17-15(18)10-16-9-12-4-3-7-21-12/h3-8,16H,9-10H2,1-2H3,(H,17,18)/p+1.
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 307.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7406588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).