2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide

C23H22N2O4S2 — CID 2224672

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H22N2O4S2/c1-17(26)18-9-8-10-19(15-18)25(31(2,28)29)16-23(27)24-21-13-6-7-14-22(21)30-20-11-4-3-5-12-20/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyOPSBQSYNKXTFBP-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.45
Rot. Bonds8

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2224672) has the molecular formula C23H22N2O4S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2224672
Molecular FormulaC23H22N2O4S2
Molecular Weight454.57 g/mol
Exact Mass454.10
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H22N2O4S2/c1-17(26)18-9-8-10-19(15-18)25(31(2,28)29)16-23(27)24-21-13-6-7-14-22(21)30-20-11-4-3-5-12-20/h3-15H,16H2,1-2H3,(H,24,27)
InChIKeyOPSBQSYNKXTFBP-UHFFFAOYSA-N
XLogP4.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-phenylsulfanylphenyl)acetamide
CID 21372798
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 5201560
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2970076
2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 4876024
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2712117
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
methyl 3-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2231397

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide (CID 2224672) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide is CC(=O)c1cccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is OPSBQSYNKXTFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S2/c1-17(26)18-9-8-10-19(15-18)25(31(2,28)29)16-23(27)24-21-13-6-7-14-22(21)30-20-11-4-3-5-12-20/h3-15H,16H2,1-2H3,(H,24,27).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2224672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).