2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

C23H29Cl2N3O4S — CID 4869538

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H29Cl2N3O4S/c1-32-15-5-14-28(33(30,31)22-16-18(24)6-11-21(22)25)17-23(29)26-19-7-9-20(10-8-19)27-12-3-2-4-13-27/h6-11,16H,2-5,12-15,17H2,1H3,(H,26,29)
InChIKeyXJQPMRXWYOKYNN-UHFFFAOYSA-N
MW514.48 g/mol
LogP4.65
Rot. Bonds10

About 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 4869538) has the molecular formula C23H29Cl2N3O4S and a molecular weight of 514.48 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID4869538
Molecular FormulaC23H29Cl2N3O4S
Molecular Weight514.48 g/mol
Exact Mass513.13
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H29Cl2N3O4S/c1-32-15-5-14-28(33(30,31)22-16-18(24)6-11-21(22)25)17-23(29)26-19-7-9-20(10-8-19)27-12-3-2-4-13-27/h6-11,16H,2-5,12-15,17H2,1H3,(H,26,29)
InChIKeyXJQPMRXWYOKYNN-UHFFFAOYSA-N
XLogP4.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methoxypropyl(thiophen-2-ylsulfonyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 5108161
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4969009
2-[3-methoxypropyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832930
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113149557
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 26753912
N-(3-chloro-4-fluorophenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149526
2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3668536
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676841
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510895
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126015329

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 4869538) is 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is COCCCN(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is XJQPMRXWYOKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O4S/c1-32-15-5-14-28(33(30,31)22-16-18(24)6-11-21(22)25)17-23(29)26-19-7-9-20(10-8-19)27-12-3-2-4-13-27/h6-11,16H,2-5,12-15,17H2,1H3,(H,26,29).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 514.48 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4869538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).