2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide

C22H29N3O5S — CID 16812488

IUPAC2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H29N3O5S/c1-3-30-21-7-5-4-6-20(21)22(26)23-12-17-31(27,28)25-15-13-24(14-16-25)18-8-10-19(29-2)11-9-18/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyNWUUEANQSCGPHZ-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.98
Rot. Bonds9

About 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide

2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 16812488) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID16812488
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H29N3O5S/c1-3-30-21-7-5-4-6-20(21)22(26)23-12-17-31(27,28)25-15-13-24(14-16-25)18-8-10-19(29-2)11-9-18/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyNWUUEANQSCGPHZ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide
CID 42175730
2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
CID 41349450
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
5-chloro-2-methoxy-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175671
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 18582856
5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
CID 22578842
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 44961219
2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 46994853

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide (CID 16812488) is 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide is CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is NWUUEANQSCGPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-3-30-21-7-5-4-6-20(21)22(26)23-12-17-31(27,28)25-15-13-24(14-16-25)18-8-10-19(29-2)11-9-18/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide?
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 16812488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).