2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C21H26N2O5S — CID 133202124

IUPAC2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCO2)c(C)c1C
InChIInChI=1S/C21H26N2O5S/c1-14-15(2)20(11-10-19(14)27-3)29(25,26)23-18-9-5-4-8-17(18)21(24)22-13-16-7-6-12-28-16/h4-5,8-11,16,23H,6-7,12-13H2,1-3H3,(H,22,24)
InChIKeyVIQHBQWYVIUJRM-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.02
Rot. Bonds7

About 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 133202124) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID133202124
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCO2)c(C)c1C
InChIInChI=1S/C21H26N2O5S/c1-14-15(2)20(11-10-19(14)27-3)29(25,26)23-18-9-5-4-8-17(18)21(24)22-13-16-7-6-12-28-16/h4-5,8-11,16,23H,6-7,12-13H2,1-3H3,(H,22,24)
InChIKeyVIQHBQWYVIUJRM-UHFFFAOYSA-N
XLogP3.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
dimethyl 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 26268965
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 8843726
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 133202124) is 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCO2)c(C)c1C.
What is the InChIKey of 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VIQHBQWYVIUJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14-15(2)20(11-10-19(14)27-3)29(25,26)23-18-9-5-4-8-17(18)21(24)22-13-16-7-6-12-28-16/h4-5,8-11,16,23H,6-7,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 133202124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).