4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

C22H29N3O5S — CID 46319215

IUPAC4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O5S/c1-29-19-7-9-20(10-8-19)31(27,28)25(17-18-5-3-4-6-21(18)30-2)14-11-22(26)24-15-12-23-13-16-24/h3-10,23H,11-17H2,1-2H3
InChIKeyASFCHKADIJGTGN-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.72
Rot. Bonds9

About 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide (PubChem CID 46319215) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
PubChem CID46319215
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2ccccc2OC)cc1
InChIInChI=1S/C22H29N3O5S/c1-29-19-7-9-20(10-8-19)31(27,28)25(17-18-5-3-4-6-21(18)30-2)14-11-22(26)24-15-12-23-13-16-24/h3-10,23H,11-17H2,1-2H3
InChIKeyASFCHKADIJGTGN-UHFFFAOYSA-N
XLogP1.72
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide (CID 46319215) is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)Cc2ccccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
The InChIKey is ASFCHKADIJGTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-29-19-7-9-20(10-8-19)31(27,28)25(17-18-5-3-4-6-21(18)30-2)14-11-22(26)24-15-12-23-13-16-24/h3-10,23H,11-17H2,1-2H3.
What are the key properties of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide?
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 46319215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).