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

C19H20N3O3S+ — CID 8677797

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C19H19N3O3S/c20-19(24)14-5-7-15(8-6-14)21-18(23)13-22(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2,(H2,20,24)(H,21,23)/p+1
InChIKeyPWKDQMSVLMLLQA-UHFFFAOYSA-O
MW370.45 g/mol
LogP1.66
Rot. Bonds8

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

[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (PubChem CID 8677797) has the molecular formula C19H20N3O3S+ and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
PubChem CID8677797
Molecular FormulaC19H20N3O3S+
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
SMILESNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C19H19N3O3S/c20-19(24)14-5-7-15(8-6-14)21-18(23)13-22(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2,(H2,20,24)(H,21,23)/p+1
InChIKeyPWKDQMSVLMLLQA-UHFFFAOYSA-O
XLogP1.66
TPSA89.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium with MolForge

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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]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718114
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
furan-2-ylmethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8677699
[2-(4-methylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800780
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
furan-2-ylmethyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678477
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
furan-2-ylmethyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8678178
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 8718122

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium (CID 8677797) is [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is NC(=O)c1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
The InChIKey is PWKDQMSVLMLLQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N3O3S/c20-19(24)14-5-7-15(8-6-14)21-18(23)13-22(11-16-3-1-9-25-16)12-17-4-2-10-26-17/h1-10H,11-13H2,(H2,20,24)(H,21,23)/p+1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium?
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium has a molecular weight of 370.45 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).