[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium

C19H20ClN2OS2+ — CID 8800767

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(Cl)cc1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H19ClN2OS2/c1-14-6-7-15(20)10-18(14)21-19(23)13-22(11-16-4-2-8-24-16)12-17-5-3-9-25-17/h2-10H,11-13H2,1H3,(H,21,23)/p+1
InChIKeyAPPYZKHUULFLEY-UHFFFAOYSA-O
MW391.97 g/mol
LogP4.00
Rot. Bonds7

About [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8800767) has the molecular formula C19H20ClN2OS2+ and a molecular weight of 391.97 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
PubChem CID8800767
Molecular FormulaC19H20ClN2OS2+
Molecular Weight391.97 g/mol
Exact Mass391.07
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCc1ccc(Cl)cc1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H19ClN2OS2/c1-14-6-7-15(20)10-18(14)21-19(23)13-22(11-16-4-2-8-24-16)12-17-5-3-9-25-17/h2-10H,11-13H2,1H3,(H,21,23)/p+1
InChIKeyAPPYZKHUULFLEY-UHFFFAOYSA-O
XLogP4.00
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622
[2-(2,5-dimethylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055138
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055232
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800916
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965814

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium (CID 8800767) is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium is Cc1ccc(Cl)cc1NC(=O)C[NH+](Cc1cccs1)Cc1cccs1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is APPYZKHUULFLEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN2OS2/c1-14-6-7-15(20)10-18(14)21-19(23)13-22(11-16-4-2-8-24-16)12-17-5-3-9-25-17/h2-10H,11-13H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium?
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 391.97 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8800767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).