N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C16H16N2O3S — CID 75767750

IUPACN-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccco2)Sc2ccccc2NC1=O
InChIInChI=1S/C16H16N2O3S/c1-16(14(19)17-9-8-11-5-4-10-21-11)15(20)18-12-6-2-3-7-13(12)22-16/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyLGHGZHFKPVJCIH-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75767750) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75767750
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccco2)Sc2ccccc2NC1=O
InChIInChI=1S/C16H16N2O3S/c1-16(14(19)17-9-8-11-5-4-10-21-11)15(20)18-12-6-2-3-7-13(12)22-16/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyLGHGZHFKPVJCIH-UHFFFAOYSA-N
XLogP2.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
CID 75767660
N-(2-imidazol-1-ylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 110273886
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 56686326
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797091
2-methyl-3-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797009
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 98207379
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
N-(1-benzylpyrazol-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767777
N-(2-methoxy-5-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75797079

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75767750) is N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is CC1(C(=O)NCCc2ccco2)Sc2ccccc2NC1=O.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is LGHGZHFKPVJCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-16(14(19)17-9-8-11-5-4-10-21-11)15(20)18-12-6-2-3-7-13(12)22-16/h2-7,10H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).