phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate

C16H16N2O5S — CID 110412901

IUPACphenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
SMILESCS(=O)(=O)N1CCOc2ccc(NC(=O)Oc3ccccc3)cc21
InChIInChI=1S/C16H16N2O5S/c1-24(20,21)18-9-10-22-15-8-7-12(11-14(15)18)17-16(19)23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyPWIIKPDWIPLSLI-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.46
Rot. Bonds3

About phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate

phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate (PubChem CID 110412901) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
PubChem CID110412901
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namephenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
SMILESCS(=O)(=O)N1CCOc2ccc(NC(=O)Oc3ccccc3)cc21
InChIInChI=1S/C16H16N2O5S/c1-24(20,21)18-9-10-22-15-8-7-12(11-14(15)18)17-16(19)23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyPWIIKPDWIPLSLI-UHFFFAOYSA-N
XLogP2.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 110412876
2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110412866
1-cyclohexyl-3-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639829
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-thiophen-2-ylacetamide
CID 110639823
3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110412908
benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110639583
tert-butyl N-[4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;ethane
CID 144873483
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-(3,4-difluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 144872950
tert-butyl N-[4-(3,4-difluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 144873090
methanamine;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-(3,4-difluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 144873639
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 123585117
(1-fluoro-2-methylpropan-2-yl) N-[4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]sulfonyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
CID 144873314

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
The IUPAC name of phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate (CID 110412901) is phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate.
What is the SMILES notation for phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
The canonical SMILES for phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate is CS(=O)(=O)N1CCOc2ccc(NC(=O)Oc3ccccc3)cc21.
What is the InChIKey of phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
The InChIKey is PWIIKPDWIPLSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-24(20,21)18-9-10-22-15-8-7-12(11-14(15)18)17-16(19)23-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate has a molecular weight of 348.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate is sourced from PubChem (CID 110412901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).