2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide

C22H31N3O4S — CID 42267582

IUPAC2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(CCNS(=O)(=O)c3cc(C)c(C)cc3OC)CC2)cc1
InChIInChI=1S/C22H31N3O4S/c1-17-15-21(29-4)22(16-18(17)2)30(26,27)23-9-10-24-11-13-25(14-12-24)19-5-7-20(28-3)8-6-19/h5-8,15-16,23H,9-14H2,1-4H3
InChIKeyWAYMCPVHOZJSFL-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.42
Rot. Bonds8

About 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide

2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 42267582) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide
PubChem CID42267582
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(N2CCN(CCNS(=O)(=O)c3cc(C)c(C)cc3OC)CC2)cc1
InChIInChI=1S/C22H31N3O4S/c1-17-15-21(29-4)22(16-18(17)2)30(26,27)23-9-10-24-11-13-25(14-12-24)19-5-7-20(28-3)8-6-19/h5-8,15-16,23H,9-14H2,1-4H3
InChIKeyWAYMCPVHOZJSFL-UHFFFAOYSA-N
XLogP2.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 42267593
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42267769
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42389539
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 29344500
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42389281
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]-3-methylphenyl]acetamide
CID 42389371
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 42267599
2,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42389269

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide (CID 42267582) is 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide is COc1ccc(N2CCN(CCNS(=O)(=O)c3cc(C)c(C)cc3OC)CC2)cc1.
What is the InChIKey of 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is WAYMCPVHOZJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-17-15-21(29-4)22(16-18(17)2)30(26,27)23-9-10-24-11-13-25(14-12-24)19-5-7-20(28-3)8-6-19/h5-8,15-16,23H,9-14H2,1-4H3.
What are the key properties of 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide?
2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 42267582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).