3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide

C21H28N2O4S — CID 19062794

IUPAC3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCOC(C)C)cc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)27-13-5-12-22-21(24)18-8-11-20(17(4)14-18)23-28(25,26)19-9-6-16(3)7-10-19/h6-11,14-15,23H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyKLUBHYCGLKFRHW-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.65
Rot. Bonds9

About 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide

3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 19062794) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID19062794
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCOC(C)C)cc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)27-13-5-12-22-21(24)18-8-11-20(17(4)14-18)23-28(25,26)19-9-6-16(3)7-10-19/h6-11,14-15,23H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyKLUBHYCGLKFRHW-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 126413796
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971504
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide (CID 19062794) is 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCOC(C)C)cc2C)cc1.
What is the InChIKey of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is KLUBHYCGLKFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)27-13-5-12-22-21(24)18-8-11-20(17(4)14-18)23-28(25,26)19-9-6-16(3)7-10-19/h6-11,14-15,23H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide?
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 19062794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).