3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

C24H33N3O3S — CID 55846962

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c(C)c1
InChIInChI=1S/C24H33N3O3S/c1-18-11-14-27(15-12-18)17-21-5-7-22(8-6-21)26-24(28)10-13-25-31(29,30)23-9-4-19(2)16-20(23)3/h4-9,16,18,25H,10-15,17H2,1-3H3,(H,26,28)
InChIKeyQDGKHQAUHNJAFH-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.84
Rot. Bonds8

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 55846962) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID55846962
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c(C)c1
InChIInChI=1S/C24H33N3O3S/c1-18-11-14-27(15-12-18)17-21-5-7-22(8-6-21)26-24(28)10-13-25-31(29,30)23-9-4-19(2)16-20(23)3/h4-9,16,18,25H,10-15,17H2,1-3H3,(H,26,28)
InChIKeyQDGKHQAUHNJAFH-UHFFFAOYSA-N
XLogP3.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78792146
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557708
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 8849984
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924823
N-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2,4-dimethylbenzenesulfonamide
CID 55361498
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 55846962) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is QDGKHQAUHNJAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18-11-14-27(15-12-18)17-21-5-7-22(8-6-21)26-24(28)10-13-25-31(29,30)23-9-4-19(2)16-20(23)3/h4-9,16,18,25H,10-15,17H2,1-3H3,(H,26,28).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 443.61 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55846962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).