N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide

C18H21NO5S — CID 664684

IUPACN-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21NO5S/c1-2-23-16-6-3-5-14(11-16)18(20)19(12-17-7-4-9-24-17)15-8-10-25(21,22)13-15/h3-7,9,11,15H,2,8,10,12-13H2,1H3
InChIKeyOZOLXIGQXLGJDO-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.51
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide

N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 664684) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
PubChem CID664684
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21NO5S/c1-2-23-16-6-3-5-14(11-16)18(20)19(12-17-7-4-9-24-17)15-8-10-25(21,22)13-15/h3-7,9,11,15H,2,8,10,12-13H2,1H3
InChIKeyOZOLXIGQXLGJDO-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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Related Compounds

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-3-(furan-2-yl)prop-2-enamide
CID 5975659
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6049421
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
3-butoxy-N-(furan-2-ylmethyl)benzamide
CID 3236227
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 665645
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 665764
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 2990516
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 3000149
4-[3-(2-furanylmethyl)-4-oxo-2-thiazolidinyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 3157053
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methoxyethyl)benzamide
CID 3158865

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide (CID 664684) is N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide is CCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide?
The InChIKey is OZOLXIGQXLGJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-2-23-16-6-3-5-14(11-16)18(20)19(12-17-7-4-9-24-17)15-8-10-25(21,22)13-15/h3-7,9,11,15H,2,8,10,12-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide 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)-3-ethoxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 664684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).