N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C16H15N3O4S — CID 6625742

IUPACN-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NCc2ccccc2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C16H15N3O4S/c1-19-14(16(20)17-11-12-6-3-2-4-7-12)10-13(18-24(19,21)22)15-8-5-9-23-15/h2-10H,11H2,1H3,(H,17,20)
InChIKeyCJPHUPDPKUMSOT-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.46
Rot. Bonds4

About N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 6625742) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID6625742
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)NCc2ccccc2)=CC(c2ccco2)=NS1(=O)=O
InChIInChI=1S/C16H15N3O4S/c1-19-14(16(20)17-11-12-6-3-2-4-7-12)10-13(18-24(19,21)22)15-8-5-9-23-15/h2-10H,11H2,1H3,(H,17,20)
InChIKeyCJPHUPDPKUMSOT-UHFFFAOYSA-N
XLogP1.46
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-Benzoylamino-3-furan-2-yl-acryloyl)-piperidine-4-carboxylic acid amide
CID 5765231
N-[2-Furan-2-yl-1-(4-methyl-piperidine-1-carbonyl)-vinyl]-4-methyl-benzamide
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2-Acetylamino-N-benzyl-3-(5-methyl-furan-2-yl)-acrylamide
CID 5771217
2-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9611294
3-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9677979
N-[1-[(Furan-2-ylmethyl)-carbamoyl]-2-(4-methoxy-phenyl)-vinyl]-benzamide
CID 1100481
N-[1-(2,6-Dimethyl-morpholine-4-carbonyl)-2-furan-2-yl-vinyl]-benzamide
CID 5765225
N-[2-Furan-2-yl-1-(3-methyl-piperidine-1-carbonyl)-vinyl]-benzamide
CID 5765239
(2Z)-N-[(Furan-2-YL)methyl]-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enamide
CID 2332964

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 6625742) is N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)NCc2ccccc2)=CC(c2ccco2)=NS1(=O)=O.
What is the InChIKey of N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is CJPHUPDPKUMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-19-14(16(20)17-11-12-6-3-2-4-7-12)10-13(18-24(19,21)22)15-8-5-9-23-15/h2-10H,11H2,1H3,(H,17,20).
What are the key properties of N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 6625742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).