2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H24N2O6S — CID 8843784

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C20H24N2O6S/c1-26-14-9-10-18(27-2)19(12-14)29(24,25)22-17-8-4-3-7-16(17)20(23)21-13-15-6-5-11-28-15/h3-4,7-10,12,15,22H,5-6,11,13H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyWSRHXEBHJANFET-OAHLLOKOSA-N
MW420.49 g/mol
LogP2.41
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 8843784) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID8843784
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C20H24N2O6S/c1-26-14-9-10-18(27-2)19(12-14)29(24,25)22-17-8-4-3-7-16(17)20(23)21-13-15-6-5-11-28-15/h3-4,7-10,12,15,22H,5-6,11,13H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyWSRHXEBHJANFET-OAHLLOKOSA-N
XLogP2.41
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 8843784) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is WSRHXEBHJANFET-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-26-14-9-10-18(27-2)19(12-14)29(24,25)22-17-8-4-3-7-16(17)20(23)21-13-15-6-5-11-28-15/h3-4,7-10,12,15,22H,5-6,11,13H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 8843784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).