4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide

C15H21NO5S — CID 95619167

IUPAC4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide
SMILESCCOc1ccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)cc1
InChIInChI=1S/C15H21NO5S/c1-2-20-13-8-6-12(7-9-13)15(17)16-22(18,19)11-14-5-3-4-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyHHAYIVNTQGSXCL-CQSZACIVSA-N
MW327.40 g/mol
LogP1.71
Rot. Bonds6

About 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide

4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide (PubChem CID 95619167) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide
PubChem CID95619167
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide
SMILESCCOc1ccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)cc1
InChIInChI=1S/C15H21NO5S/c1-2-20-13-8-6-12(7-9-13)15(17)16-22(18,19)11-14-5-3-4-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyHHAYIVNTQGSXCL-CQSZACIVSA-N
XLogP1.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
N-[[(2S)-oxan-2-yl]methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 99807012
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
5-chloro-N-(oxan-2-ylmethylsulfonyl)furan-2-carboxamide
CID 134813247
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxan-2-ylmethylsulfonyl)-1,3-oxazole-4-carboxamide
CID 166232588
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide (CID 95619167) is 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide is CCOc1ccc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)cc1.
What is the InChIKey of 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide?
The InChIKey is HHAYIVNTQGSXCL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-2-20-13-8-6-12(7-9-13)15(17)16-22(18,19)11-14-5-3-4-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide?
4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide has a molecular weight of 327.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[(2R)-oxan-2-yl]methylsulfonyl]benzamide is sourced from PubChem (CID 95619167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).