4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C25H26N2O4S — CID 92882397

IUPAC4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3)cc2)c1
InChIInChI=1S/C25H26N2O4S/c1-18-4-2-5-21(16-18)19-9-13-24(14-10-19)32(29,30)27-22-11-7-20(8-12-22)25(28)26-17-23-6-3-15-31-23/h2,4-5,7-14,16,23,27H,3,6,15,17H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyVDHPUSHCPAFOEH-HSZRJFAPSA-N
MW450.56 g/mol
LogP4.37
Rot. Bonds7

About 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 92882397) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID92882397
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3)cc2)c1
InChIInChI=1S/C25H26N2O4S/c1-18-4-2-5-21(16-18)19-9-13-24(14-10-19)32(29,30)27-22-11-7-20(8-12-22)25(28)26-17-23-6-3-15-31-23/h2,4-5,7-14,16,23,27H,3,6,15,17H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyVDHPUSHCPAFOEH-HSZRJFAPSA-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-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
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-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 92882397) is 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3)cc2)c1.
What is the InChIKey of 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VDHPUSHCPAFOEH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18-4-2-5-21(16-18)19-9-13-24(14-10-19)32(29,30)27-22-11-7-20(8-12-22)25(28)26-17-23-6-3-15-31-23/h2,4-5,7-14,16,23,27H,3,6,15,17H2,1H3,(H,26,28)/t23-/m1/s1.
What are the key properties of 4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]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-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 92882397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).