N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H16N2O3S — CID 2450741

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)o1
InChIInChI=1S/C16H16N2O3S/c1-10-3-5-12(21-10)8-18(2)16(20)11-4-6-14-13(7-11)17-15(19)9-22-14/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKeyQFNUNZZZIGSQLU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 2450741) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID2450741
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)o1
InChIInChI=1S/C16H16N2O3S/c1-10-3-5-12(21-10)8-18(2)16(20)11-4-6-14-13(7-11)17-15(19)9-22-14/h3-7H,8-9H2,1-2H3,(H,17,19)
InChIKeyQFNUNZZZIGSQLU-UHFFFAOYSA-N
XLogP2.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 31151011
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N-[(2-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7965448
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27822829
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 39858086
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26979430
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539733
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43514684

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 2450741) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cc1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is QFNUNZZZIGSQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-3-5-12(21-10)8-18(2)16(20)11-4-6-14-13(7-11)17-15(19)9-22-14/h3-7H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 2450741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).