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

C18H21NO4S — CID 2990308

IUPACN-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2C)C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C18H21NO4S/c1-13-5-3-4-6-17(13)18(20)19(11-16-8-7-14(2)23-16)15-9-10-24(21,22)12-15/h3-8,15H,9-12H2,1-2H3
InChIKeyWDFHVVVIGRWEFK-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.73
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 2990308) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID2990308
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2C)C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C18H21NO4S/c1-13-5-3-4-6-17(13)18(20)19(11-16-8-7-14(2)23-16)15-9-10-24(21,22)12-15/h3-8,15H,9-12H2,1-2H3
InChIKeyWDFHVVVIGRWEFK-UHFFFAOYSA-N
XLogP2.73
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 2990308) is N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C(=O)c2ccccc2C)C2CCS(=O)(=O)C2)o1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is WDFHVVVIGRWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-5-3-4-6-17(13)18(20)19(11-16-8-7-14(2)23-16)15-9-10-24(21,22)12-15/h3-8,15H,9-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 2990308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).