benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate

C23H20N2O4S — CID 67724152

IUPACbenzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
SMILESCc1c(-c2ccccc2)sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c12
InChIInChI=1S/C23H20N2O4S/c1-14-18-21(30-19(14)17-11-7-4-8-12-17)25-20(29-22(18)26)15(2)24-23(27)28-13-16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyDXARFXNLDRAXCE-HNNXBMFYSA-N
MW420.49 g/mol
LogP5.21
Rot. Bonds5

About benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate

benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate (PubChem CID 67724152) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
PubChem CID67724152
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Namebenzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
SMILESCc1c(-c2ccccc2)sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c12
InChIInChI=1S/C23H20N2O4S/c1-14-18-21(30-19(14)17-11-7-4-8-12-17)25-20(29-22(18)26)15(2)24-23(27)28-13-16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyDXARFXNLDRAXCE-HNNXBMFYSA-N
XLogP5.21
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate with MolForge

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Related Compounds

benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 139788293
benzyl N-[1-[6-(butylcarbamoylamino)-5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl]ethyl]carbamate
CID 67724034
benzyl N-[(2R)-1-oxo-1-[[4-oxo-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3,1-benzoxazin-7-yl]amino]propan-2-yl]carbamate
CID 71121029
benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate
CID 504615
2-butyl-5-methyl-6-phenylthieno[2,3-d][1,3]oxazin-4-one
CID 110172567
5-methyl-2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-oxazole-4-carboxylic acid
CID 91758156
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 86336679
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate (CID 67724152) is benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate is Cc1c(-c2ccccc2)sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c12.
What is the InChIKey of benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
The InChIKey is DXARFXNLDRAXCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-14-18-21(30-19(14)17-11-7-4-8-12-17)25-20(29-22(18)26)15(2)24-23(27)28-13-16-9-5-3-6-10-16/h3-12,15H,13H2,1-2H3,(H,24,27)/t15-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 67724152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).