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

C24H24N2O5S — CID 99949677

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O5S/c27-24(25-17-20-9-6-16-30-20)22-10-4-5-11-23(22)26-32(28,29)21-14-12-19(13-15-21)31-18-7-2-1-3-8-18/h1-5,7-8,10-15,20,26H,6,9,16-17H2,(H,25,27)/t20-/m1/s1
InChIKeyNVWIJZJUPQOSJX-HXUWFJFHSA-N
MW452.53 g/mol
LogP4.19
Rot. Bonds8

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

N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide (PubChem CID 99949677) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
PubChem CID99949677
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O5S/c27-24(25-17-20-9-6-16-30-20)22-10-4-5-11-23(22)26-32(28,29)21-14-12-19(13-15-21)31-18-7-2-1-3-8-18/h1-5,7-8,10-15,20,26H,6,9,16-17H2,(H,25,27)/t20-/m1/s1
InChIKeyNVWIJZJUPQOSJX-HXUWFJFHSA-N
XLogP4.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378
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
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 8843726
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide (CID 99949677) is N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide is O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide?
The InChIKey is NVWIJZJUPQOSJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N2O5S/c27-24(25-17-20-9-6-16-30-20)22-10-4-5-11-23(22)26-32(28,29)21-14-12-19(13-15-21)31-18-7-2-1-3-8-18/h1-5,7-8,10-15,20,26H,6,9,16-17H2,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide has a molecular weight of 452.53 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 99949677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).