3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C23H31N3O3S — CID 8545586

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-19-5-11-22(12-6-19)30(28,29)25-14-13-23(27)24-17-20-7-9-21(10-8-20)18-26-15-3-2-4-16-26/h5-12,25H,2-4,13-18H2,1H3,(H,24,27)
InChIKeyZUFIYZRRBUFLLR-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.97
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 8545586) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID8545586
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-19-5-11-22(12-6-19)30(28,29)25-14-13-23(27)24-17-20-7-9-21(10-8-20)18-26-15-3-2-4-16-26/h5-12,25H,2-4,13-18H2,1H3,(H,24,27)
InChIKeyZUFIYZRRBUFLLR-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
4-cyclohexyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 16294017
3-[Benzenesulfonyl(benzyl)amino]propanamide
CID 808580
N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-(4-Sulfamoylbenzyl)Pivalamide
CID 4447263

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 8545586) is 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is ZUFIYZRRBUFLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-19-5-11-22(12-6-19)30(28,29)25-14-13-23(27)24-17-20-7-9-21(10-8-20)18-26-15-3-2-4-16-26/h5-12,25H,2-4,13-18H2,1H3,(H,24,27).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 429.59 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 8545586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).