2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C23H24FN3O5S2 — CID 22307616

IUPAC2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H24FN3O5S2/c1-16-7-12-21(22(13-16)34(31,32)20-10-8-17(24)9-11-20)25-15-23(28)26-18-5-4-6-19(14-18)27(2)33(3,29)30/h4-14,25H,15H2,1-3H3,(H,26,28)
InChIKeyJUSAPGLJPNRPDW-UHFFFAOYSA-N
MW505.59 g/mol
LogP3.41
Rot. Bonds8

About 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 22307616) has the molecular formula C23H24FN3O5S2 and a molecular weight of 505.59 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID22307616
Molecular FormulaC23H24FN3O5S2
Molecular Weight505.59 g/mol
Exact Mass505.11
IUPAC Name2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H24FN3O5S2/c1-16-7-12-21(22(13-16)34(31,32)20-10-8-17(24)9-11-20)25-15-23(28)26-18-5-4-6-19(14-18)27(2)33(3,29)30/h4-14,25H,15H2,1-3H3,(H,26,28)
InChIKeyJUSAPGLJPNRPDW-UHFFFAOYSA-N
XLogP3.41
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126142617
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
CID 41465695
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126129293
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2228425
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
CID 22304214
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1295597
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 22307616) is 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is Cc1ccc(NCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is JUSAPGLJPNRPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S2/c1-16-7-12-21(22(13-16)34(31,32)20-10-8-17(24)9-11-20)25-15-23(28)26-18-5-4-6-19(14-18)27(2)33(3,29)30/h4-14,25H,15H2,1-3H3,(H,26,28).
What are the key properties of 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 505.59 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfonyl-4-methylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 22307616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).