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

C20H24N2O4S — CID 43005963

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-10-19(12-15(14)2)27(24,25)22-17-8-6-16(7-9-17)20(23)21-13-18-4-3-11-26-18/h5-10,12,18,22H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyHNPRNCPXQLTKLN-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.01
Rot. Bonds6

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

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43005963) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43005963
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-14-5-10-19(12-15(14)2)27(24,25)22-17-8-6-16(7-9-17)20(23)21-13-18-4-3-11-26-18/h5-10,12,18,22H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyHNPRNCPXQLTKLN-UHFFFAOYSA-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)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
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-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
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
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2083754

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 43005963) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HNPRNCPXQLTKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-5-10-19(12-15(14)2)27(24,25)22-17-8-6-16(7-9-17)20(23)21-13-18-4-3-11-26-18/h5-10,12,18,22H,3-4,11,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)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)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43005963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).