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

C18H20ClN3O4S — CID 4885403

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)20-14-6-7-17(22-8-10-26-11-9-22)18(12-14)27(24,25)21-16-5-3-2-4-15(16)19/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyOMDOKNOPAJNBKY-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.94
Rot. Bonds5

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

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide (PubChem CID 4885403) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
PubChem CID4885403
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O4S/c1-13(23)20-14-6-7-17(22-8-10-26-11-9-22)18(12-14)27(24,25)21-16-5-3-2-4-15(16)19/h2-7,12,21H,8-11H2,1H3,(H,20,23)
InChIKeyOMDOKNOPAJNBKY-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide (CID 4885403) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide is CC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
The InChIKey is OMDOKNOPAJNBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-13(23)20-14-6-7-17(22-8-10-26-11-9-22)18(12-14)27(24,25)21-16-5-3-2-4-15(16)19/h2-7,12,21H,8-11H2,1H3,(H,20,23).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 4885403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).