4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H24N2O5S — CID 26871354

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-2-26-17-9-11-19(12-10-17)28(24,25)22-16-7-5-15(6-8-16)20(23)21-14-18-4-3-13-27-18/h5-12,18,22H,2-4,13-14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyVKPXTTGANFIIKT-GOSISDBHSA-N
MW404.49 g/mol
LogP2.79
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 26871354) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID26871354
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-2-26-17-9-11-19(12-10-17)28(24,25)22-16-7-5-15(6-8-16)20(23)21-14-18-4-3-13-27-18/h5-12,18,22H,2-4,13-14H2,1H3,(H,21,23)/t18-/m1/s1
InChIKeyVKPXTTGANFIIKT-GOSISDBHSA-N
XLogP2.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 43002871
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-ethoxy-N-[4-[(oxetane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 75434591
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333530
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 26871354) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VKPXTTGANFIIKT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-2-26-17-9-11-19(12-10-17)28(24,25)22-16-7-5-15(6-8-16)20(23)21-14-18-4-3-13-27-18/h5-12,18,22H,2-4,13-14H2,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 26871354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).