4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C25H26N2O4S — CID 46386325

IUPAC4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-18-5-2-3-7-24(18)19-10-14-23(15-11-19)32(29,30)27-21-12-8-20(9-13-21)25(28)26-17-22-6-4-16-31-22/h2-3,5,7-15,22,27H,4,6,16-17H2,1H3,(H,26,28)
InChIKeyKLUSGWBZAQENFO-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.37
Rot. Bonds7

About 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46386325) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46386325
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C25H26N2O4S/c1-18-5-2-3-7-24(18)19-10-14-23(15-11-19)32(29,30)27-21-12-8-20(9-13-21)25(28)26-17-22-6-4-16-31-22/h2-3,5,7-15,22,27H,4,6,16-17H2,1H3,(H,26,28)
InChIKeyKLUSGWBZAQENFO-UHFFFAOYSA-N
XLogP4.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
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-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 46386325) is 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KLUSGWBZAQENFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18-5-2-3-7-24(18)19-10-14-23(15-11-19)32(29,30)27-21-12-8-20(9-13-21)25(28)26-17-22-6-4-16-31-22/h2-3,5,7-15,22,27H,4,6,16-17H2,1H3,(H,26,28).
What are the key properties of 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46386325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).