N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide

C20H25NO5S — CID 3548679

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCCc1ccc(OC(C)C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H25NO5S/c1-3-16-6-8-18(9-7-16)26-15(2)20(22)21(13-19-5-4-11-25-19)17-10-12-27(23,24)14-17/h4-9,11,15,17H,3,10,12-14H2,1-2H3
InChIKeyNGALZHVYTLPWRS-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.83
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 3548679) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID3548679
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCCc1ccc(OC(C)C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H25NO5S/c1-3-16-6-8-18(9-7-16)26-15(2)20(22)21(13-19-5-4-11-25-19)17-10-12-27(23,24)14-17/h4-9,11,15,17H,3,10,12-14H2,1-2H3
InChIKeyNGALZHVYTLPWRS-UHFFFAOYSA-N
XLogP2.83
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide (CID 3548679) is N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide is CCc1ccc(OC(C)C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is NGALZHVYTLPWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-3-16-6-8-18(9-7-16)26-15(2)20(22)21(13-19-5-4-11-25-19)17-10-12-27(23,24)14-17/h4-9,11,15,17H,3,10,12-14H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3548679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).