4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C20H25N3O4S — CID 1083010

IUPAC4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-21(28(25,26)19-10-8-18(27-2)9-11-19)16-20(24)23-14-12-22(13-15-23)17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
InChIKeyWEXMGVGVWXZSPY-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.66
Rot. Bonds6

About 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 1083010) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID1083010
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-21(28(25,26)19-10-8-18(27-2)9-11-19)16-20(24)23-14-12-22(13-15-23)17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
InChIKeyWEXMGVGVWXZSPY-UHFFFAOYSA-N
XLogP1.66
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 1083010) is 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is WEXMGVGVWXZSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-21(28(25,26)19-10-8-18(27-2)9-11-19)16-20(24)23-14-12-22(13-15-23)17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1083010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).