N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide

C21H29N3O3S — CID 29344564

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H29N3O3S/c1-27-21-10-6-5-9-20(21)24-16-14-23(15-17-24)13-12-22-28(25,26)18-11-19-7-3-2-4-8-19/h2-10,22H,11-18H2,1H3
InChIKeyLNGDBXRNHLMSBW-UHFFFAOYSA-N
MW403.55 g/mol
LogP1.98
Rot. Bonds9

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide (PubChem CID 29344564) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
PubChem CID29344564
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H29N3O3S/c1-27-21-10-6-5-9-20(21)24-16-14-23(15-17-24)13-12-22-28(25,26)18-11-19-7-3-2-4-8-19/h2-10,22H,11-18H2,1H3
InChIKeyLNGDBXRNHLMSBW-UHFFFAOYSA-N
XLogP1.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
CID 42389017
2-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]ethanesulfonamide
CID 29344525
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267824
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 42267853
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29344635
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42267855
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide (CID 29344564) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide is COc1ccccc1N1CCN(CCNS(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
The InChIKey is LNGDBXRNHLMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-27-21-10-6-5-9-20(21)24-16-14-23(15-17-24)13-12-22-28(25,26)18-11-19-7-3-2-4-8-19/h2-10,22H,11-18H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 29344564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).