N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide

C17H18N2O4S — CID 42786253

IUPACN-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)CSc3ccccc32)o1
InChIInChI=1S/C17H18N2O4S/c1-22-9-8-18-17(21)14-7-6-12(23-14)10-19-13-4-2-3-5-15(13)24-11-16(19)20/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyWKRSUCJDPPVENE-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.29
Rot. Bonds6

About N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide

N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide (PubChem CID 42786253) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide
PubChem CID42786253
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)CSc3ccccc32)o1
InChIInChI=1S/C17H18N2O4S/c1-22-9-8-18-17(21)14-7-6-12(23-14)10-19-13-4-2-3-5-15(13)24-11-16(19)20/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyWKRSUCJDPPVENE-UHFFFAOYSA-N
XLogP2.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786181
3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
CID 4004507
N-(2-methoxyethyl)-5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 5222225
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
N-hexyl-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 4027391
methyl 4-[2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl]benzoate
CID 36774416
5-[[6-[2-(3-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 46034362
N-(3-methoxypropyl)-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5233304
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031
4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4693483
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide (CID 42786253) is N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide is COCCNC(=O)c1ccc(CN2C(=O)CSc3ccccc32)o1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is WKRSUCJDPPVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-9-8-18-17(21)14-7-6-12(23-14)10-19-13-4-2-3-5-15(13)24-11-16(19)20/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide?
N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzothiazin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42786253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).