N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C26H28N2O5S — CID 17222218

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCC4CCCO4)cc3)cc2)cc1C
InChIInChI=1S/C26H28N2O5S/c1-18-5-8-22(16-19(18)2)28-34(30,31)25-13-9-21(10-14-25)27-26(29)20-6-11-23(12-7-20)33-17-24-4-3-15-32-24/h5-14,16,24,28H,3-4,15,17H2,1-2H3,(H,27,29)
InChIKeyIOHADKQPWJXUOR-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.91
Rot. Bonds8

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 17222218) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID17222218
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCC4CCCO4)cc3)cc2)cc1C
InChIInChI=1S/C26H28N2O5S/c1-18-5-8-22(16-19(18)2)28-34(30,31)25-13-9-21(10-14-25)27-26(29)20-6-11-23(12-7-20)33-17-24-4-3-15-32-24/h5-14,16,24,28H,3-4,15,17H2,1-2H3,(H,27,29)
InChIKeyIOHADKQPWJXUOR-UHFFFAOYSA-N
XLogP4.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-(oxolan-2-ylmethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17222220
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2161674
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 17222218) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCC4CCCO4)cc3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is IOHADKQPWJXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-18-5-8-22(16-19(18)2)28-34(30,31)25-13-9-21(10-14-25)27-26(29)20-6-11-23(12-7-20)33-17-24-4-3-15-32-24/h5-14,16,24,28H,3-4,15,17H2,1-2H3,(H,27,29).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 17222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).