4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

C16H16N2O3S — CID 3245038

IUPAC4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C16H16N2O3S/c1-2-18-13-8-11(5-6-14(13)22-10-15(18)19)16(20)17-9-12-4-3-7-21-12/h3-8H,2,9-10H2,1H3,(H,17,20)
InChIKeyXIGULXCLNQIGQK-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.67
Rot. Bonds4

About 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide

4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 3245038) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID3245038
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C16H16N2O3S/c1-2-18-13-8-11(5-6-14(13)22-10-15(18)19)16(20)17-9-12-4-3-7-21-12/h3-8H,2,9-10H2,1H3,(H,17,20)
InChIKeyXIGULXCLNQIGQK-UHFFFAOYSA-N
XLogP2.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(2-furylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 6620067
4-((2-chloro-6-fluorophenyl)methyl)-N-((furan-2-yl)methyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5077622
10-(2-fluorobenzyl)-N-(2-furylmethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
CID 5043824
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylsulfanyl-3-nitrobenzamide
CID 4826021
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095300
N-(2-furanylmethyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide
CID 12005219
4-(4-chlorobenzyl)-N-(2-furylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 16193751
N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 666545
N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 666723
N-(2-furylmethyl)-10H-phenothiazine-10-carboxamide
CID 704262
3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
CID 974087
2-{[N-(2-furylmethyl)carbamoyl]methylthio}-N-(4-methylphenyl)acetamide
CID 2239526

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide (CID 3245038) is 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21.
What is the InChIKey of 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is XIGULXCLNQIGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-18-13-8-11(5-6-14(13)22-10-15(18)19)16(20)17-9-12-4-3-7-21-12/h3-8H,2,9-10H2,1H3,(H,17,20).
What are the key properties of 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 3245038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).