[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

C15H17Cl2N2OS+ — CID 8717971

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-11-5-6-13(16)14(17)8-11/h3-8H,2,9-10H2,1H3,(H,18,20)/p+1
InChIKeyPCQNQYWORNWZOV-UHFFFAOYSA-O
MW344.29 g/mol
LogP3.10
Rot. Bonds6

About [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8717971) has the molecular formula C15H17Cl2N2OS+ and a molecular weight of 344.29 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8717971
Molecular FormulaC15H17Cl2N2OS+
Molecular Weight344.29 g/mol
Exact Mass343.04
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccs1
InChIInChI=1S/C15H16Cl2N2OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-11-5-6-13(16)14(17)8-11/h3-8H,2,9-10H2,1H3,(H,18,20)/p+1
InChIKeyPCQNQYWORNWZOV-UHFFFAOYSA-O
XLogP3.10
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9054972
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium
CID 8551689
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8717971) is [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccs1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is PCQNQYWORNWZOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-11-5-6-13(16)14(17)8-11/h3-8H,2,9-10H2,1H3,(H,18,20)/p+1.
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 344.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8717971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).