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

C18H18N2O4S — CID 139788293

IUPACbenzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
SMILESCc1sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c2c1C
InChIInChI=1S/C18H18N2O4S/c1-10-12(3)25-16-14(10)17(21)24-15(20-16)11(2)19-18(22)23-9-13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyDTRVVKKLGCQOLT-NSHDSACASA-N
MW358.42 g/mol
LogP3.85
Rot. Bonds4

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

benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate (PubChem CID 139788293) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
PubChem CID139788293
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namebenzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
SMILESCc1sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c2c1C
InChIInChI=1S/C18H18N2O4S/c1-10-12(3)25-16-14(10)17(21)24-15(20-16)11(2)19-18(22)23-9-13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyDTRVVKKLGCQOLT-NSHDSACASA-N
XLogP3.85
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

benzyl N-[(1S)-1-(5-methyl-4-oxo-6-phenylthieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 67724152
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
benzyl (2S)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 731227
5-methyl-2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-oxazole-4-carboxylic acid
CID 91758156
benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
CID 100978788
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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate (CID 139788293) is benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate is Cc1sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c2c1C.
What is the InChIKey of benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
The InChIKey is DTRVVKKLGCQOLT-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-12(3)25-16-14(10)17(21)24-15(20-16)11(2)19-18(22)23-9-13-7-5-4-6-8-13/h4-8,11H,9H2,1-3H3,(H,19,22)/t11-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate?
benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate has a molecular weight of 358.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 139788293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).