N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide

C20H16N2O3S — CID 3231761

IUPACN-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)c1cccs1
InChIInChI=1S/C20H16N2O3S/c23-19-13-25-17-11-15(21-20(24)18-7-4-10-26-18)8-9-16(17)22(19)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeyMLPHHGQIAWCLGI-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.93
Rot. Bonds4

About N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide

N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide (PubChem CID 3231761) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide
PubChem CID3231761
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)c1cccs1
InChIInChI=1S/C20H16N2O3S/c23-19-13-25-17-11-15(21-20(24)18-7-4-10-26-18)8-9-16(17)22(19)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeyMLPHHGQIAWCLGI-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea
CID 156828159
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(4-phenylcyclohexyl)urea
CID 156827900
N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]thiophene-2-carboxamide
CID 40886980
4-benzyl-N-(4-methylphenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023806
4-benzyl-3-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-benzoxazine-7-carboxamide
CID 139779674
2-[4-[[7-[[2-(3-fluorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781373
1-tert-butyl-3-[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]urea
CID 170748157
4-[(4-nitrophenyl)methyl]-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-7-carboxamide
CID 139779669
2-[4-[[7-[[2-(2-chlorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781366
1-[4-[[3-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(1H-indol-6-yl)urea
CID 156871886

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide (CID 3231761) is N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1)c1cccs1.
What is the InChIKey of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide?
The InChIKey is MLPHHGQIAWCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-19-13-25-17-11-15(21-20(24)18-7-4-10-26-18)8-9-16(17)22(19)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide?
N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3231761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).