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

C23H21N3O3S — CID 100787848

IUPACN-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc(C#N)c3)cc2)cc1
InChIInChI=1S/C23H21N3O3S/c1-17-6-12-22(13-7-17)30(28,29)26(2)21-10-8-18(9-11-21)15-23(27)25-20-5-3-4-19(14-20)16-24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyYLYJGUPMHDGVLF-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.87
Rot. Bonds6

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

N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 100787848) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID100787848
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc(C#N)c3)cc2)cc1
InChIInChI=1S/C23H21N3O3S/c1-17-6-12-22(13-7-17)30(28,29)26(2)21-10-8-18(9-11-21)15-23(27)25-20-5-3-4-19(14-20)16-24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyYLYJGUPMHDGVLF-UHFFFAOYSA-N
XLogP3.87
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
N-[(3-cyanophenyl)methyl]-N-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 32590677
N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787996
N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100792586
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
CID 4782661

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 100787848) is N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc(C#N)c3)cc2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is YLYJGUPMHDGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-17-6-12-22(13-7-17)30(28,29)26(2)21-10-8-18(9-11-21)15-23(27)25-20-5-3-4-19(14-20)16-24/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 100787848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).