N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide

C21H26ClN3O4S — CID 44961271

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H26ClN3O4S/c1-17(29-18-7-3-2-4-8-18)21(26)23-11-16-30(27,28)25-14-12-24(13-15-25)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26)
InChIKeyFHZSNGVOSPLBEG-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.38
Rot. Bonds8

About N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide (PubChem CID 44961271) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
PubChem CID44961271
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H26ClN3O4S/c1-17(29-18-7-3-2-4-8-18)21(26)23-11-16-30(27,28)25-14-12-24(13-15-25)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26)
InChIKeyFHZSNGVOSPLBEG-UHFFFAOYSA-N
XLogP2.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-ethylbutanamide
CID 41349699
3-chloro-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
CID 41349722
(Z)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-phenylprop-2-enamide
CID 41349770
2-(4-tert-butylphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide
CID 46456242
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-naphthalen-1-ylacetamide
CID 41349801
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-5-nitrofuran-2-carboxamide
CID 41349840
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide (CID 44961271) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide?
The InChIKey is FHZSNGVOSPLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-17(29-18-7-3-2-4-8-18)21(26)23-11-16-30(27,28)25-14-12-24(13-15-25)20-10-6-5-9-19(20)22/h2-10,17H,11-16H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide has a molecular weight of 451.98 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxypropanamide is sourced from PubChem (CID 44961271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).