4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide

C16H24N2O4S — CID 46993377

IUPAC4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1oc(C(=O)NC2C=CS(=O)(=O)C2)cc1CN(CC)CC
InChIInChI=1S/C16H24N2O4S/c1-4-14-12(10-18(5-2)6-3)9-15(22-14)16(19)17-13-7-8-23(20,21)11-13/h7-9,13H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyAIZWWWLRUOTLSV-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.72
Rot. Bonds7

About 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide

4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide (PubChem CID 46993377) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide
PubChem CID46993377
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide
SMILESCCc1oc(C(=O)NC2C=CS(=O)(=O)C2)cc1CN(CC)CC
InChIInChI=1S/C16H24N2O4S/c1-4-14-12(10-18(5-2)6-3)9-15(22-14)16(19)17-13-7-8-23(20,21)11-13/h7-9,13H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyAIZWWWLRUOTLSV-UHFFFAOYSA-N
XLogP1.72
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide?
The IUPAC name of 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide (CID 46993377) is 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide is CCc1oc(C(=O)NC2C=CS(=O)(=O)C2)cc1CN(CC)CC.
What is the InChIKey of 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide?
The InChIKey is AIZWWWLRUOTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-14-12(10-18(5-2)6-3)9-15(22-14)16(19)17-13-7-8-23(20,21)11-13/h7-9,13H,4-6,10-11H2,1-3H3,(H,17,19).
What are the key properties of 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide?
4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 46993377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).