[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

C16H20N3O2S+ — CID 8718114

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccs1
InChIInChI=1S/C16H19N3O2S/c1-2-19(10-14-4-3-9-22-14)11-15(20)18-13-7-5-12(6-8-13)16(17)21/h3-9H,2,10-11H2,1H3,(H2,17,21)(H,18,20)/p+1
InChIKeyJLFOCGYKBOEBCO-UHFFFAOYSA-O
MW318.42 g/mol
LogP0.89
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium

[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8718114) has the molecular formula C16H20N3O2S+ and a molecular weight of 318.42 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8718114
Molecular FormulaC16H20N3O2S+
Molecular Weight318.42 g/mol
Exact Mass318.13
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccs1
InChIInChI=1S/C16H19N3O2S/c1-2-19(10-14-4-3-9-22-14)11-15(20)18-13-7-5-12(6-8-13)16(17)21/h3-9H,2,10-11H2,1H3,(H2,17,21)(H,18,20)/p+1
InChIKeyJLFOCGYKBOEBCO-UHFFFAOYSA-O
XLogP0.89
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
[2-(3,4-dichloroanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717971
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718256
ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718287
ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
ethyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718326
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8718114) is [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccs1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is JLFOCGYKBOEBCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3O2S/c1-2-19(10-14-4-3-9-22-14)11-15(20)18-13-7-5-12(6-8-13)16(17)21/h3-9H,2,10-11H2,1H3,(H2,17,21)(H,18,20)/p+1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium?
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 318.42 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8718114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).