N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

C18H21NO5S — CID 2990516

IUPACN-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccc(C)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO5S/c1-13-7-8-15(24-13)11-19(14-9-10-25(21,22)12-14)18(20)16-5-3-4-6-17(16)23-2/h3-8,14H,9-12H2,1-2H3
InChIKeyZRZQBDVQIAGFSD-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.43
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 2990516) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID2990516
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1ccc(C)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21NO5S/c1-13-7-8-15(24-13)11-19(14-9-10-25(21,22)12-14)18(20)16-5-3-4-6-17(16)23-2/h3-8,14H,9-12H2,1-2H3
InChIKeyZRZQBDVQIAGFSD-UHFFFAOYSA-N
XLogP2.43
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6049421
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothien-3-yl)-N-(2-furylmethyl)-2-methoxybenzamide
CID 664384
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
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 2998976
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 3000149
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3351955
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 3548679
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 3646157

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 2990516) is N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide is COc1ccccc1C(=O)N(Cc1ccc(C)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is ZRZQBDVQIAGFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13-7-8-15(24-13)11-19(14-9-10-25(21,22)12-14)18(20)16-5-3-4-6-17(16)23-2/h3-8,14H,9-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 2.43, 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)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 2990516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).