[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium

C17H24N3O2S2+ — CID 8801322

IUPAC[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCCCNC(=O)CNC(=O)C[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H23N3O2S2/c1-2-7-18-16(21)10-19-17(22)13-20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h3-6,8-9H,2,7,10-13H2,1H3,(H,18,21)(H,19,22)/p+1
InChIKeySCUOWJGPMRENTI-UHFFFAOYSA-O
MW366.53 g/mol
LogP1.04
Rot. Bonds10

About [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8801322) has the molecular formula C17H24N3O2S2+ and a molecular weight of 366.53 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium
PubChem CID8801322
Molecular FormulaC17H24N3O2S2+
Molecular Weight366.53 g/mol
Exact Mass366.13
IUPAC Name[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium
SMILESCCCNC(=O)CNC(=O)C[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H23N3O2S2/c1-2-7-18-16(21)10-19-17(22)13-20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h3-6,8-9H,2,7,10-13H2,1H3,(H,18,21)(H,19,22)/p+1
InChIKeySCUOWJGPMRENTI-UHFFFAOYSA-O
XLogP1.04
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

[(2R)-oxolan-2-yl]methyl-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8926103
ethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8769822
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055512
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800767
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800916
[2-(benzhydrylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8717939
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718095
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium (CID 8801322) is [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium is CCCNC(=O)CNC(=O)C[NH+](Cc1cccs1)Cc1cccs1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is SCUOWJGPMRENTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O2S2/c1-2-7-18-16(21)10-19-17(22)13-20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h3-6,8-9H,2,7,10-13H2,1H3,(H,18,21)(H,19,22)/p+1.
What are the key properties of [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium?
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 366.53 g/mol, XLogP of 1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8801322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).