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

C17H19NO5S — CID 664384

IUPACN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19NO5S/c1-22-16-7-3-2-6-15(16)17(19)18(11-14-5-4-9-23-14)13-8-10-24(20,21)12-13/h2-7,9,13H,8,10-12H2,1H3
InChIKeyJJACHFPBTFANIL-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.12
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide (PubChem CID 664384) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide
PubChem CID664384
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19NO5S/c1-22-16-7-3-2-6-15(16)17(19)18(11-14-5-4-9-23-14)13-8-10-24(20,21)12-13/h2-7,9,13H,8,10-12H2,1H3
InChIKeyJJACHFPBTFANIL-UHFFFAOYSA-N
XLogP2.12
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.12
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
(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
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 664684
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 665548
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
6-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)-7-methyl-4-oxo-4H-chromene-2-carboxamide
CID 666906
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 2990516
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 2998976
[2-(Furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2999782

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide (CID 664384) is N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide is COc1ccccc1C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The InChIKey is JJACHFPBTFANIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-16-7-3-2-6-15(16)17(19)18(11-14-5-4-9-23-14)13-8-10-24(20,21)12-13/h2-7,9,13H,8,10-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide?
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide has a molecular weight of 349.41 g/mol, XLogP of 2.12, 5 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-(furan-2-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 664384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).