2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide

C24H23Cl2N3O4S — CID 4831172

IUPAC2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23Cl2N3O4S/c25-18-3-1-17(2-4-18)15-24(30)27-21-9-10-22(29-11-13-33-14-12-29)23(16-21)34(31,32)28-20-7-5-19(26)6-8-20/h1-10,16,28H,11-15H2,(H,27,30)
InChIKeyIUKKATLBMJAPIW-UHFFFAOYSA-N
MW520.44 g/mol
LogP4.81
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide

2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide (PubChem CID 4831172) has the molecular formula C24H23Cl2N3O4S and a molecular weight of 520.44 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
PubChem CID4831172
Molecular FormulaC24H23Cl2N3O4S
Molecular Weight520.44 g/mol
Exact Mass519.08
IUPAC Name2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H23Cl2N3O4S/c25-18-3-1-17(2-4-18)15-24(30)27-21-9-10-22(29-11-13-33-14-12-29)23(16-21)34(31,32)28-20-7-5-19(26)6-8-20/h1-10,16,28H,11-15H2,(H,27,30)
InChIKeyIUKKATLBMJAPIW-UHFFFAOYSA-N
XLogP4.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 3933606
3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4849988
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
2-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 4853933
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
(E)-3-[3-[[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoic acid
CID 6218117
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]furan-2-carboxamide
CID 42990181
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 168786207
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide (CID 4831172) is 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The InChIKey is IUKKATLBMJAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4S/c25-18-3-1-17(2-4-18)15-24(30)27-21-9-10-22(29-11-13-33-14-12-29)23(16-21)34(31,32)28-20-7-5-19(26)6-8-20/h1-10,16,28H,11-15H2,(H,27,30).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide has a molecular weight of 520.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 4831172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).