N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide

C24H29N3O3S — CID 17473588

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C24H29N3O3S/c1-25(31(29,30)23-12-11-21-9-5-6-10-22(21)17-23)19-24(28)27-15-13-26(14-16-27)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18-19H2,1H3
InChIKeyWNWDCQYDHSVKJR-UHFFFAOYSA-N
MW439.58 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 17473588) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID17473588
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C24H29N3O3S/c1-25(31(29,30)23-12-11-21-9-5-6-10-22(21)17-23)19-24(28)27-15-13-26(14-16-27)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18-19H2,1H3
InChIKeyWNWDCQYDHSVKJR-UHFFFAOYSA-N
XLogP2.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100785212
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148481
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 3517149
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-ethylbenzenesulfonamide
CID 2970012
N-benzyl-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 3667650
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide
CID 3355285
1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
CID 56570110
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2,5-dichlorobenzenesulfonamide
CID 124538000
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126175570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide (CID 17473588) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide is CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is WNWDCQYDHSVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-25(31(29,30)23-12-11-21-9-5-6-10-22(21)17-23)19-24(28)27-15-13-26(14-16-27)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18-19H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 17473588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).