4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H24N2O4S — CID 25391523

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-8-17(12-15(14)2)22-27(24,25)19-9-6-16(7-10-19)20(23)21-13-18-4-3-11-26-18/h5-10,12,18,22H,3-4,11,13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyYFDWAEWMWGIGPM-GOSISDBHSA-N
MW388.49 g/mol
LogP3.01
Rot. Bonds6

About 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 25391523) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID25391523
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-8-17(12-15(14)2)22-27(24,25)19-9-6-16(7-10-19)20(23)21-13-18-4-3-11-26-18/h5-10,12,18,22H,3-4,11,13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyYFDWAEWMWGIGPM-GOSISDBHSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222218
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
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
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 25391523) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YFDWAEWMWGIGPM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-8-17(12-15(14)2)22-27(24,25)19-9-6-16(7-10-19)20(23)21-13-18-4-3-11-26-18/h5-10,12,18,22H,3-4,11,13H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25391523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).