N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C22H28N2O3S — CID 3611644

IUPACN-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17-3-8-20(9-4-17)23-28(26,27)21-10-5-19(6-11-21)7-12-22(25)24-15-13-18(2)14-16-24/h3-6,8-11,18,23H,7,12-16H2,1-2H3
InChIKeyXAUDZAKYNSWZIZ-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.99
Rot. Bonds6

About N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 3611644) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID3611644
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17-3-8-20(9-4-17)23-28(26,27)21-10-5-19(6-11-21)7-12-22(25)24-15-13-18(2)14-16-24/h3-6,8-11,18,23H,7,12-16H2,1-2H3
InChIKeyXAUDZAKYNSWZIZ-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 133239338
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
CID 19684397

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 3611644) is N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is XAUDZAKYNSWZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-3-8-20(9-4-17)23-28(26,27)21-10-5-19(6-11-21)7-12-22(25)24-15-13-18(2)14-16-24/h3-6,8-11,18,23H,7,12-16H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 3611644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).