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

C20H24N2O5S — CID 1327378

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O5S/c1-2-26-15-9-11-17(12-10-15)28(24,25)22-19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-27-16/h3-4,7-12,16,22H,2,5-6,13-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyJYGIRNNTSYDSCV-MRXNPFEDSA-N
MW404.49 g/mol
LogP2.79
Rot. Bonds8

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

2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1327378) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID1327378
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O5S/c1-2-26-15-9-11-17(12-10-15)28(24,25)22-19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-27-16/h3-4,7-12,16,22H,2,5-6,13-14H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyJYGIRNNTSYDSCV-MRXNPFEDSA-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

N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843752
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843753
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333530
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1327378) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is JYGIRNNTSYDSCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-2-26-15-9-11-17(12-10-15)28(24,25)22-19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-27-16/h3-4,7-12,16,22H,2,5-6,13-14H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[(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 2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1327378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).