N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

C18H21NO5S — CID 664302

IUPACN-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H21NO5S/c1-2-23-16-7-5-14(6-8-16)12-19(15-9-11-25(21,22)13-15)18(20)17-4-3-10-24-17/h3-8,10,15H,2,9,11-13H2,1H3
InChIKeyQOUVDVAUFDRYGJ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.51
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 664302) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID664302
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H21NO5S/c1-2-23-16-7-5-14(6-8-16)12-19(15-9-11-25(21,22)13-15)18(20)17-4-3-10-24-17/h3-8,10,15H,2,9,11-13H2,1H3
InChIKeyQOUVDVAUFDRYGJ-UHFFFAOYSA-N
XLogP2.51
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.51
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)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide (CID 664302) is N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide is CCOc1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is QOUVDVAUFDRYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-2-23-16-7-5-14(6-8-16)12-19(15-9-11-25(21,22)13-15)18(20)17-4-3-10-24-17/h3-8,10,15H,2,9,11-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.51, 6 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)-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 664302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).