3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide

C17H20N2O4S — CID 7686318

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-13-6-7-14(17(20)18-12-15-5-4-9-23-15)11-16(13)19-8-2-3-10-24(19,21)22/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,18,20)
InChIKeyMIQJWCUSDGJNQH-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.45
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide

3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 7686318) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID7686318
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-13-6-7-14(17(20)18-12-15-5-4-9-23-15)11-16(13)19-8-2-3-10-24(19,21)22/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,18,20)
InChIKeyMIQJWCUSDGJNQH-UHFFFAOYSA-N
XLogP2.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7686230
3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55878043
3-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55876377
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 7686257
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(furan-2-yl)propanamide
CID 110303557
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 7686318) is 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccco2)cc1N1CCCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is MIQJWCUSDGJNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-6-7-14(17(20)18-12-15-5-4-9-23-15)11-16(13)19-8-2-3-10-24(19,21)22/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,18,20).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 7686318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).