[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium

C19H21N2OS3+ — CID 8800916

IUPAC[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCSc1ccccc1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H20N2OS3/c1-23-18-9-3-2-8-17(18)20-19(22)14-21(12-15-6-4-10-24-15)13-16-7-5-11-25-16/h2-11H,12-14H2,1H3,(H,20,22)/p+1
InChIKeyMIMVTYVTWZOONN-UHFFFAOYSA-O
MW389.59 g/mol
LogP3.76
Rot. Bonds8

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

[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8800916) has the molecular formula C19H21N2OS3+ and a molecular weight of 389.59 g/mol. Its IUPAC name is [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
PubChem CID8800916
Molecular FormulaC19H21N2OS3+
Molecular Weight389.59 g/mol
Exact Mass389.08
IUPAC Name[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCSc1ccccc1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H20N2OS3/c1-23-18-9-3-2-8-17(18)20-19(22)14-21(12-15-6-4-10-24-15)13-16-7-5-11-25-16/h2-11H,12-14H2,1H3,(H,20,22)/p+1
InChIKeyMIMVTYVTWZOONN-UHFFFAOYSA-O
XLogP3.76
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055588
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055524
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769822
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895040
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium (CID 8800916) is [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium is CSc1ccccc1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1.
What is the InChIKey of [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is MIMVTYVTWZOONN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2OS3/c1-23-18-9-3-2-8-17(18)20-19(22)14-21(12-15-6-4-10-24-15)13-16-7-5-11-25-16/h2-11H,12-14H2,1H3,(H,20,22)/p+1.
What are the key properties of [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 389.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8800916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).