2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide

C25H28FN3O5S2 — CID 1435666

IUPAC2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FN3O5S2/c1-3-28(4-2)35(31,32)23-14-16-24(17-15-23)36(33,34)29(18-20-10-12-21(26)13-11-20)19-25(30)27-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)
InChIKeyCXOAOOMXJYSVNX-UHFFFAOYSA-N
MW533.65 g/mol
LogP3.69
Rot. Bonds11

About 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide

2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide (PubChem CID 1435666) has the molecular formula C25H28FN3O5S2 and a molecular weight of 533.65 g/mol. Its IUPAC name is 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
PubChem CID1435666
Molecular FormulaC25H28FN3O5S2
Molecular Weight533.65 g/mol
Exact Mass533.15
IUPAC Name2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C25H28FN3O5S2/c1-3-28(4-2)35(31,32)23-14-16-24(17-15-23)36(33,34)29(18-20-10-12-21(26)13-11-20)19-25(30)27-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)
InChIKeyCXOAOOMXJYSVNX-UHFFFAOYSA-N
XLogP3.69
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[[4-(cyclohexylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 3202155
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 98104560
N-(3-acetamidophenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 30883186
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[4-[[2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793272

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide (CID 1435666) is 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
The InChIKey is CXOAOOMXJYSVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5S2/c1-3-28(4-2)35(31,32)23-14-16-24(17-15-23)36(33,34)29(18-20-10-12-21(26)13-11-20)19-25(30)27-22-8-6-5-7-9-22/h5-17H,3-4,18-19H2,1-2H3,(H,27,30).
What are the key properties of 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide?
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide has a molecular weight of 533.65 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 1435666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).