2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide

C18H20N2O4S — CID 1481584

IUPAC2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O4S/c21-18(14-25(22,23)17-4-2-1-3-5-17)19-15-6-8-16(9-7-15)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21)
InChIKeyFJRNKXNSBVPEEY-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.94
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 1481584) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID1481584
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O4S/c21-18(14-25(22,23)17-4-2-1-3-5-17)19-15-6-8-16(9-7-15)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21)
InChIKeyFJRNKXNSBVPEEY-UHFFFAOYSA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3365377
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
4-[4-(Phenylsulfonyl)phenyl]morpholine
CID 726898
1-(3-(3-Morpholinopropylsulfonyl)phenyl)-3-phenylurea
CID 24809976
N-(4-Cyclohexylsulfamoyl-phenyl)-2-morpholin-4-yl-acetamide
CID 647448
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3900118

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 1481584) is 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is FJRNKXNSBVPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(14-25(22,23)17-4-2-1-3-5-17)19-15-6-8-16(9-7-15)20-10-12-24-13-11-20/h1-9H,10-14H2,(H,19,21).
What are the key properties of 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1481584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).