N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H14N2O3S — CID 51314074

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)C3Cc4ccccc4S3)cc2N1
InChIInChI=1S/C17H14N2O3S/c20-16-9-22-13-6-5-11(8-12(13)19-16)18-17(21)15-7-10-3-1-2-4-14(10)23-15/h1-6,8,15H,7,9H2,(H,18,21)(H,19,20)
InChIKeyLSXMVHUZVJILTO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.67
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51314074) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51314074
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)C3Cc4ccccc4S3)cc2N1
InChIInChI=1S/C17H14N2O3S/c20-16-9-22-13-6-5-11(8-12(13)19-16)18-17(21)15-7-10-3-1-2-4-14(10)23-15/h1-6,8,15H,7,9H2,(H,18,21)(H,19,20)
InChIKeyLSXMVHUZVJILTO-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
N-(4-chloro-3-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217245
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
CID 136552659
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-[4-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114299762
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
trans-(1S,2S)-2-(3-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxamide
CID 97011127
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51314074) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C1COc2ccc(NC(=O)C3Cc4ccccc4S3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is LSXMVHUZVJILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16-9-22-13-6-5-11(8-12(13)19-16)18-17(21)15-7-10-3-1-2-4-14(10)23-15/h1-6,8,15H,7,9H2,(H,18,21)(H,19,20).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51314074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).