N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide

C23H22F2N2O3S — CID 100792620

IUPACN-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccc(F)cc2)Cc2ccccc2F)cc1
InChIInChI=1S/C23H22F2N2O3S/c1-17-7-13-21(14-8-17)31(29,30)27(15-18-5-3-4-6-22(18)25)16-23(28)26(2)20-11-9-19(24)10-12-20/h3-14H,15-16H2,1-2H3
InChIKeyKCYRDESYKZRDCI-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.13
Rot. Bonds7

About N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide

N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 100792620) has the molecular formula C23H22F2N2O3S and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID100792620
Molecular FormulaC23H22F2N2O3S
Molecular Weight444.50 g/mol
Exact Mass444.13
IUPAC NameN-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccc(F)cc2)Cc2ccccc2F)cc1
InChIInChI=1S/C23H22F2N2O3S/c1-17-7-13-21(14-8-17)31(29,30)27(15-18-5-3-4-6-22(18)25)16-23(28)26(2)20-11-9-19(24)10-12-20/h3-14H,15-16H2,1-2H3
InChIKeyKCYRDESYKZRDCI-UHFFFAOYSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100792531
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-N-methylacetamide
CID 100791896
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100793374
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 4005841
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
N-[(2-fluorophenyl)methyl]-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 2925890
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792569
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
(2R)-2-[[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125070933
2-[(2-fluorophenyl)methyl-[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194334
N-(3,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126064523

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide (CID 100792620) is N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccc(F)cc2)Cc2ccccc2F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is KCYRDESYKZRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3S/c1-17-7-13-21(14-8-17)31(29,30)27(15-18-5-3-4-6-22(18)25)16-23(28)26(2)20-11-9-19(24)10-12-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 444.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 100792620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).