2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

C26H28FN3O6S2 — CID 43874406

IUPAC2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H28FN3O6S2/c27-23-8-12-25(13-9-23)38(34,35)30(19-22-4-2-1-3-5-22)20-26(31)28-18-21-6-10-24(11-7-21)37(32,33)29-14-16-36-17-15-29/h1-13H,14-20H2,(H,28,31)
InChIKeyPWIVSHOQAMRIEY-UHFFFAOYSA-N
MW561.66 g/mol
LogP2.35
Rot. Bonds10

About 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43874406) has the molecular formula C26H28FN3O6S2 and a molecular weight of 561.66 g/mol. Its IUPAC name is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
PubChem CID43874406
Molecular FormulaC26H28FN3O6S2
Molecular Weight561.66 g/mol
Exact Mass561.14
IUPAC Name2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H28FN3O6S2/c27-23-8-12-25(13-9-23)38(34,35)30(19-22-4-2-1-3-5-22)20-26(31)28-18-21-6-10-24(11-7-21)37(32,33)29-14-16-36-17-15-29/h1-13H,14-20H2,(H,28,31)
InChIKeyPWIVSHOQAMRIEY-UHFFFAOYSA-N
XLogP2.35
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874524
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874695
2-[[4-(cyclopropylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 3213086
2-[benzenesulfonyl(benzyl)amino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100799790
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875007
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874647
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4822610

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide (CID 43874406) is 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is PWIVSHOQAMRIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6S2/c27-23-8-12-25(13-9-23)38(34,35)30(19-22-4-2-1-3-5-22)20-26(31)28-18-21-6-10-24(11-7-21)37(32,33)29-14-16-36-17-15-29/h1-13H,14-20H2,(H,28,31).
What are the key properties of 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide?
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 561.66 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43874406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).