N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide

C28H33N3O4S — CID 41349450

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33N3O4S/c1-35-26-14-12-25(13-15-26)30-17-19-31(20-18-30)36(33,34)21-16-29-28(32)22-27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,27H,16-22H2,1H3,(H,29,32)
InChIKeyVPPGGXSQZYKEJK-UHFFFAOYSA-N
MW507.66 g/mol
LogP3.49
Rot. Bonds10

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide (PubChem CID 41349450) has the molecular formula C28H33N3O4S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
PubChem CID41349450
Molecular FormulaC28H33N3O4S
Molecular Weight507.66 g/mol
Exact Mass507.22
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
SMILESCOc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33N3O4S/c1-35-26-14-12-25(13-15-26)30-17-19-31(20-18-30)36(33,34)21-16-29-28(32)22-27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,27H,16-22H2,1H3,(H,29,32)
InChIKeyVPPGGXSQZYKEJK-UHFFFAOYSA-N
XLogP3.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 22578878
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-3,3-dimethylbutanamide
CID 42175622
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 72856052
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
2-(4-methoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 25285504
3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42439713
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide
CID 42175730
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide (CID 41349450) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide is COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide?
The InChIKey is VPPGGXSQZYKEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4S/c1-35-26-14-12-25(13-15-26)30-17-19-31(20-18-30)36(33,34)21-16-29-28(32)22-27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,27H,16-22H2,1H3,(H,29,32).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide has a molecular weight of 507.66 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 41349450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).