[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium

C19H21N2OS2+ — CID 8800780

IUPAC[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C19H20N2OS2/c1-15-6-8-16(9-7-15)20-19(22)14-21(12-17-4-2-10-23-17)13-18-5-3-11-24-18/h2-11H,12-14H2,1H3,(H,20,22)/p+1
InChIKeyMVGJQPWNZYNZLV-UHFFFAOYSA-O
MW357.52 g/mol
LogP3.34
Rot. Bonds7

About [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium

[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8800780) has the molecular formula C19H21N2OS2+ and a molecular weight of 357.52 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
PubChem CID8800780
Molecular FormulaC19H21N2OS2+
Molecular Weight357.52 g/mol
Exact Mass357.11
IUPAC Name[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C19H20N2OS2/c1-15-6-8-16(9-7-15)20-19(22)14-21(12-17-4-2-10-23-17)13-18-5-3-11-24-18/h2-11H,12-14H2,1H3,(H,20,22)/p+1
InChIKeyMVGJQPWNZYNZLV-UHFFFAOYSA-O
XLogP3.34
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800916
ethyl-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769794
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
(2-anilino-2-oxoethyl)-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9054978

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium (CID 8800780) is [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium is Cc1ccc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is MVGJQPWNZYNZLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2OS2/c1-15-6-8-16(9-7-15)20-19(22)14-21(12-17-4-2-10-23-17)13-18-5-3-11-24-18/h2-11H,12-14H2,1H3,(H,20,22)/p+1.
What are the key properties of [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 357.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8800780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).