4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide

C23H25N3O3S — CID 60571081

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C(C)c3ccncc3)cc2)cc1C
InChIInChI=1S/C23H25N3O3S/c1-16-5-10-22(15-17(16)2)30(28,29)25-21-8-6-20(7-9-21)23(27)26(4)18(3)19-11-13-24-14-12-19/h5-15,18,25H,1-4H3
InChIKeyCXEUEUDEBPXYPM-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.33
Rot. Bonds6

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 60571081) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID60571081
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C(C)c3ccncc3)cc2)cc1C
InChIInChI=1S/C23H25N3O3S/c1-16-5-10-22(15-17(16)2)30(28,29)25-21-8-6-20(7-9-21)23(27)26(4)18(3)19-11-13-24-14-12-19/h5-15,18,25H,1-4H3
InChIKeyCXEUEUDEBPXYPM-UHFFFAOYSA-N
XLogP4.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571190
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 60571008
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 95679320
3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 49370742
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide (CID 60571081) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C(C)c3ccncc3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is CXEUEUDEBPXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16-5-10-22(15-17(16)2)30(28,29)25-21-8-6-20(7-9-21)23(27)26(4)18(3)19-11-13-24-14-12-19/h5-15,18,25H,1-4H3.
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60571081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).