N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide

C14H18N2O5S — CID 110413097

IUPACN-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide
SMILESCS(=O)(=O)N1CCOc2cc(NC(=O)C3CCCO3)ccc21
InChIInChI=1S/C14H18N2O5S/c1-22(18,19)16-6-8-21-13-9-10(4-5-11(13)16)15-14(17)12-3-2-7-20-12/h4-5,9,12H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyKKAAAQFVWCLLLB-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.96
Rot. Bonds3

About N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide

N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide (PubChem CID 110413097) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide
PubChem CID110413097
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC NameN-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide
SMILESCS(=O)(=O)N1CCOc2cc(NC(=O)C3CCCO3)ccc21
InChIInChI=1S/C14H18N2O5S/c1-22(18,19)16-6-8-21-13-9-10(4-5-11(13)16)15-14(17)12-3-2-7-20-12/h4-5,9,12H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyKKAAAQFVWCLLLB-UHFFFAOYSA-N
XLogP0.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
(2S)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)oxolane-2-carboxamide
CID 40957932
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)adamantane-1-carboxamide
CID 110413146
1-cyclohexyl-3-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639829
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 95081246
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(dimethylsulfamoyl)-4-methylphenyl]oxolane-2-carboxamide
CID 42904547
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
N-(3-methyl-4-sulfamoylphenyl)oxolane-2-carboxamide
CID 43133994

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide (CID 110413097) is N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide is CS(=O)(=O)N1CCOc2cc(NC(=O)C3CCCO3)ccc21.
What is the InChIKey of N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide?
The InChIKey is KKAAAQFVWCLLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-22(18,19)16-6-8-21-13-9-10(4-5-11(13)16)15-14(17)12-3-2-7-20-12/h4-5,9,12H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide?
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 110413097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).