N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C23H20FN3O3S — CID 100792586

IUPACN-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2F)cc1
InChIInChI=1S/C23H20FN3O3S/c1-17-9-11-21(12-10-17)31(29,30)27(15-19-6-2-3-8-22(19)24)16-23(28)26-20-7-4-5-18(13-20)14-25/h2-13H,15-16H2,1H3,(H,26,28)
InChIKeyQODFDHJEOBSTQJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.84
Rot. Bonds7

About N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 100792586) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID100792586
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC NameN-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2F)cc1
InChIInChI=1S/C23H20FN3O3S/c1-17-9-11-21(12-10-17)31(29,30)27(15-19-6-2-3-8-22(19)24)16-23(28)26-20-7-4-5-18(13-20)14-25/h2-13H,15-16H2,1H3,(H,26,28)
InChIKeyQODFDHJEOBSTQJ-UHFFFAOYSA-N
XLogP3.84
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126064523
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126095136
2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
CID 2695486
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126080987
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 100794127
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792569
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 4005841
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 100792586) is N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2F)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is QODFDHJEOBSTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-17-9-11-21(12-10-17)31(29,30)27(15-19-6-2-3-8-22(19)24)16-23(28)26-20-7-4-5-18(13-20)14-25/h2-13H,15-16H2,1H3,(H,26,28).
What are the key properties of N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 437.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100792586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).