furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C18H26N3O3S+ — CID 8678178

IUPACfuran-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC(C)CCNC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H25N3O3S/c1-14(2)7-8-19-18(23)20-17(22)13-21(11-15-5-3-9-24-15)12-16-6-4-10-25-16/h3-6,9-10,14H,7-8,11-13H2,1-2H3,(H2,19,20,22,23)/p+1
InChIKeyRRIBQGLMWMYJAR-UHFFFAOYSA-O
MW364.49 g/mol
LogP1.80
Rot. Bonds9

About furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 8678178) has the molecular formula C18H26N3O3S+ and a molecular weight of 364.49 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID8678178
Molecular FormulaC18H26N3O3S+
Molecular Weight364.49 g/mol
Exact Mass364.17
IUPAC Namefuran-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCC(C)CCNC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H25N3O3S/c1-14(2)7-8-19-18(23)20-17(22)13-21(11-15-5-3-9-24-15)12-16-6-4-10-25-16/h3-6,9-10,14H,7-8,11-13H2,1-2H3,(H2,19,20,22,23)/p+1
InChIKeyRRIBQGLMWMYJAR-UHFFFAOYSA-O
XLogP1.80
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841411
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905716
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8801322
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 8678178) is furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is CC(C)CCNC(=O)NC(=O)C[NH+](Cc1ccco1)Cc1cccs1.
What is the InChIKey of furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is RRIBQGLMWMYJAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O3S/c1-14(2)7-8-19-18(23)20-17(22)13-21(11-15-5-3-9-24-15)12-16-6-4-10-25-16/h3-6,9-10,14H,7-8,11-13H2,1-2H3,(H2,19,20,22,23)/p+1.
What are the key properties of furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 364.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8678178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).