3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide

C22H30N2O4S — CID 126413796

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c(C)c1
InChIInChI=1S/C22H30N2O4S/c1-15(2)28-12-6-11-23-22(25)19-9-8-17(4)21(14-19)29(26,27)24-20-10-7-16(3)13-18(20)5/h7-10,13-15,24H,6,11-12H2,1-5H3,(H,23,25)
InChIKeyPAQPMLSPVAQEMM-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.96
Rot. Bonds9

About 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 126413796) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID126413796
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c(C)c1
InChIInChI=1S/C22H30N2O4S/c1-15(2)28-12-6-11-23-22(25)19-9-8-17(4)21(14-19)29(26,27)24-20-10-7-16(3)13-18(20)5/h7-10,13-15,24H,6,11-12H2,1-5H3,(H,23,25)
InChIKeyPAQPMLSPVAQEMM-UHFFFAOYSA-N
XLogP3.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.96
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-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 30395320
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2233372
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2977769

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide (CID 126413796) is 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2C)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is PAQPMLSPVAQEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15(2)28-12-6-11-23-22(25)19-9-8-17(4)21(14-19)29(26,27)24-20-10-7-16(3)13-18(20)5/h7-10,13-15,24H,6,11-12H2,1-5H3,(H,23,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 418.56 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 126413796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).