2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide

C25H27N3O6S2 — CID 1435689

IUPAC2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1
InChIInChI=1S/C25H27N3O6S2/c29-25(26-22-9-5-2-6-10-22)20-28(19-21-7-3-1-4-8-21)36(32,33)24-13-11-23(12-14-24)35(30,31)27-15-17-34-18-16-27/h1-14H,15-20H2,(H,26,29)
InChIKeyFCNBFCGFCDCKDN-UHFFFAOYSA-N
MW529.64 g/mol
LogP2.54
Rot. Bonds9

About 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide

2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide (PubChem CID 1435689) has the molecular formula C25H27N3O6S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
PubChem CID1435689
Molecular FormulaC25H27N3O6S2
Molecular Weight529.64 g/mol
Exact Mass529.13
IUPAC Name2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1
InChIInChI=1S/C25H27N3O6S2/c29-25(26-22-9-5-2-6-10-22)20-28(19-21-7-3-1-4-8-21)36(32,33)24-13-11-23(12-14-24)35(30,31)27-15-17-34-18-16-27/h1-14H,15-20H2,(H,26,29)
InChIKeyFCNBFCGFCDCKDN-UHFFFAOYSA-N
XLogP2.54
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
2-{(2-Methoxy-ethyl)-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-amino}-N-phenyl-acetamide
CID 644798
N-(4-Cyclohexylsulfamoyl-phenyl)-2-morpholin-4-yl-acetamide
CID 647448
2-[3-fluoro(methylsulfonyl)anilino]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1006632
N-[4-(4-morpholinylsulfonyl)phenyl]cyclohexanecarboxamide
CID 1105149

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide (CID 1435689) is 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
The InChIKey is FCNBFCGFCDCKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S2/c29-25(26-22-9-5-2-6-10-22)20-28(19-21-7-3-1-4-8-21)36(32,33)24-13-11-23(12-14-24)35(30,31)27-15-17-34-18-16-27/h1-14H,15-20H2,(H,26,29).
What are the key properties of 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide?
2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide has a molecular weight of 529.64 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 1435689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).