2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

C22H29N3O5S — CID 16826979

IUPAC2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H29N3O5S/c1-18-6-8-21(9-7-18)31(27,28)25-14-12-24(13-15-25)11-10-23-22(26)17-30-20-5-3-4-19(16-20)29-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeySAAWEMWFTUBSCW-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.51
Rot. Bonds9

About 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide

2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (PubChem CID 16826979) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
PubChem CID16826979
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H29N3O5S/c1-18-6-8-21(9-7-18)31(27,28)25-14-12-24(13-15-25)11-10-23-22(26)17-30-20-5-3-4-19(16-20)29-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeySAAWEMWFTUBSCW-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
3,4-dimethoxy-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 44827353
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
N-[1-(3-methoxyphenyl)ethylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1388948
2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571741
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-methylbenzamide;hydrochloride
CID 18571726
2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (CID 16826979) is 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is COc1cccc(OCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is SAAWEMWFTUBSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-18-6-8-21(9-7-18)31(27,28)25-14-12-24(13-15-25)11-10-23-22(26)17-30-20-5-3-4-19(16-20)29-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 16826979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).