3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide

C15H24N4O3S — CID 9205175

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N4O3S/c1-13-3-5-14(6-4-13)23(21,22)16-8-7-15(20)17-19-11-9-18(2)10-12-19/h3-6,16H,7-12H2,1-2H3,(H,17,20)
InChIKeyCACUUVJTUDBUEG-UHFFFAOYSA-N
MW340.45 g/mol
LogP-0.06
Rot. Bonds6

About 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide

3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 9205175) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID9205175
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N4O3S/c1-13-3-5-14(6-4-13)23(21,22)16-8-7-15(20)17-19-11-9-18(2)10-12-19/h3-6,16H,7-12H2,1-2H3,(H,17,20)
InChIKeyCACUUVJTUDBUEG-UHFFFAOYSA-N
XLogP-0.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-[2-(methylamino)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 120831447
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359461
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
3-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-1-yl)propanamide
CID 9205248
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide (CID 9205175) is 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is CACUUVJTUDBUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-13-3-5-14(6-4-13)23(21,22)16-8-7-15(20)17-19-11-9-18(2)10-12-19/h3-6,16H,7-12H2,1-2H3,(H,17,20).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9205175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).