2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide

C22H21FN2O3S2 — CID 45372488

IUPAC2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3S2/c1-2-25(30(27,28)19-14-12-17(23)13-15-19)16-22(26)24-20-10-6-7-11-21(20)29-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyUKMCZDSTOAZDLQ-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.63
Rot. Bonds8

About 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 45372488) has the molecular formula C22H21FN2O3S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID45372488
Molecular FormulaC22H21FN2O3S2
Molecular Weight444.55 g/mol
Exact Mass444.10
IUPAC Name2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3S2/c1-2-25(30(27,28)19-14-12-17(23)13-15-19)16-22(26)24-20-10-6-7-11-21(20)29-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,24,26)
InChIKeyUKMCZDSTOAZDLQ-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 100781629
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 126317339
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 126278937
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 126371762

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide (CID 45372488) is 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is UKMCZDSTOAZDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S2/c1-2-25(30(27,28)19-14-12-17(23)13-15-19)16-22(26)24-20-10-6-7-11-21(20)29-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,24,26).
What are the key properties of 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 444.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 45372488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).