N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide

C29H34FN3O3S — CID 21373112

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C29H34FN3O3S/c1-22-19-23(2)29(24(3)20-22)37(35,36)33(14-13-25-7-5-4-6-8-25)21-28(34)32-17-15-31(16-18-32)27-11-9-26(30)10-12-27/h4-12,19-20H,13-18,21H2,1-3H3
InChIKeyZMRPFTGMGHAVTB-UHFFFAOYSA-N
MW523.67 g/mol
LogP4.33
Rot. Bonds8

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 21373112) has the molecular formula C29H34FN3O3S and a molecular weight of 523.67 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID21373112
Molecular FormulaC29H34FN3O3S
Molecular Weight523.67 g/mol
Exact Mass523.23
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C29H34FN3O3S/c1-22-19-23(2)29(24(3)20-22)37(35,36)33(14-13-25-7-5-4-6-8-25)21-28(34)32-17-15-31(16-18-32)27-11-9-26(30)10-12-27/h4-12,19-20H,13-18,21H2,1-3H3
InChIKeyZMRPFTGMGHAVTB-UHFFFAOYSA-N
XLogP4.33
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.67
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[2-oxo-2-[4-(3,4,5-trichlorophenyl)piperazin-1-yl]ethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 166345157
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 2202483
2,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 50788654
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795039
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 45374408
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
N-(3,5-dimethylphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1163686
N-[(3,4-dichlorophenyl)methyl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1018625
2,4,6-trimethyl-N-[(3-methylphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788395
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide (CID 21373112) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is ZMRPFTGMGHAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O3S/c1-22-19-23(2)29(24(3)20-22)37(35,36)33(14-13-25-7-5-4-6-8-25)21-28(34)32-17-15-31(16-18-32)27-11-9-26(30)10-12-27/h4-12,19-20H,13-18,21H2,1-3H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 523.67 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 21373112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).