2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide

C26H27Cl2N3O5S — CID 17321166

IUPAC2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C26H27Cl2N3O5S/c1-18(36-24-12-7-19(27)17-22(24)28)26(32)29-20-8-10-21(11-9-20)37(33,34)31-15-13-30(14-16-31)23-5-3-4-6-25(23)35-2/h3-12,17-18H,13-16H2,1-2H3,(H,29,32)
InChIKeyWLAPEAXYEGODLU-UHFFFAOYSA-N
MW564.49 g/mol
LogP4.92
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide

2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide (PubChem CID 17321166) has the molecular formula C26H27Cl2N3O5S and a molecular weight of 564.49 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
PubChem CID17321166
Molecular FormulaC26H27Cl2N3O5S
Molecular Weight564.49 g/mol
Exact Mass563.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C26H27Cl2N3O5S/c1-18(36-24-12-7-19(27)17-22(24)28)26(32)29-20-8-10-21(11-9-20)37(33,34)31-15-13-30(14-16-31)23-5-3-4-6-25(23)35-2/h3-12,17-18H,13-16H2,1-2H3,(H,29,32)
InChIKeyWLAPEAXYEGODLU-UHFFFAOYSA-N
XLogP4.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide with MolForge

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Related Compounds

N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 4946409
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpentanamide
CID 17320775
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 42426694
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 4932050
2-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 17320520
2-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17319627
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 41093278
2-(2-bromo-4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 4981382
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-chlorophenoxy)propanamide
CID 4932144
3,4,5-trimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide
CID 17320426
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide (CID 17321166) is 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is WLAPEAXYEGODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3O5S/c1-18(36-24-12-7-19(27)17-22(24)28)26(32)29-20-8-10-21(11-9-20)37(33,34)31-15-13-30(14-16-31)23-5-3-4-6-25(23)35-2/h3-12,17-18H,13-16H2,1-2H3,(H,29,32).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 564.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 17321166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).