2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide

C19H13N3O3S — CID 69027073

IUPAC2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Nc1nc2sccc2c(=O)o1
InChIInChI=1S/C19H13N3O3S/c23-16(20-12-6-2-1-3-7-12)13-8-4-5-9-15(13)21-19-22-17-14(10-11-26-17)18(24)25-19/h1-11H,(H,20,23)(H,21,22)
InChIKeyDBATZNSDLJZIIN-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.25
Rot. Bonds4

About 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide

2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide (PubChem CID 69027073) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide
PubChem CID69027073
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Nc1nc2sccc2c(=O)o1
InChIInChI=1S/C19H13N3O3S/c23-16(20-12-6-2-1-3-7-12)13-8-4-5-9-15(13)21-19-22-17-14(10-11-26-17)18(24)25-19/h1-11H,(H,20,23)(H,21,22)
InChIKeyDBATZNSDLJZIIN-UHFFFAOYSA-N
XLogP4.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68979734
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[(3-bromo-6-oxopyrimido[2,1-b]quinazolin-2-yl)amino]-N-phenylbenzamide chloride
CID 21235885
2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 130611453
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 10400687
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide?
The IUPAC name of 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide (CID 69027073) is 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1Nc1nc2sccc2c(=O)o1.
What is the InChIKey of 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide?
The InChIKey is DBATZNSDLJZIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-16(20-12-6-2-1-3-7-12)13-8-4-5-9-15(13)21-19-22-17-14(10-11-26-17)18(24)25-19/h1-11H,(H,20,23)(H,21,22).
What are the key properties of 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide?
2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide has a molecular weight of 363.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide is sourced from PubChem (CID 69027073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).