2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide

C33H28N2O4S — CID 126415624

IUPAC2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C33H28N2O4S/c1-25-16-22-30(23-17-25)40(37,38)35(27-18-20-29(21-19-27)39-28-12-6-3-7-13-28)24-33(36)34-32-15-9-8-14-31(32)26-10-4-2-5-11-26/h2-23H,24H2,1H3,(H,34,36)
InChIKeyVUKVWYYAJJARFU-UHFFFAOYSA-N
MW548.66 g/mol
LogP7.29
Rot. Bonds9

About 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide

2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide (PubChem CID 126415624) has the molecular formula C33H28N2O4S and a molecular weight of 548.66 g/mol. Its IUPAC name is 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
PubChem CID126415624
Molecular FormulaC33H28N2O4S
Molecular Weight548.66 g/mol
Exact Mass548.18
IUPAC Name2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C33H28N2O4S/c1-25-16-22-30(23-17-25)40(37,38)35(27-18-20-29(21-19-27)39-28-12-6-3-7-13-28)24-33(36)34-32-15-9-8-14-31(32)26-10-4-2-5-11-26/h2-23H,24H2,1H3,(H,34,36)
InChIKeyVUKVWYYAJJARFU-UHFFFAOYSA-N
XLogP7.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.66
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methylphenyl)acetamide
CID 1262151
N-(4-iodo-2-methylphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 126415460
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetamide
CID 4565026
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126139478
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylphenyl)acetamide
CID 126148569
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 126413914
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122
2-(4-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 47004366

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide (CID 126415624) is 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
The InChIKey is VUKVWYYAJJARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O4S/c1-25-16-22-30(23-17-25)40(37,38)35(27-18-20-29(21-19-27)39-28-12-6-3-7-13-28)24-33(36)34-32-15-9-8-14-31(32)26-10-4-2-5-11-26/h2-23H,24H2,1H3,(H,34,36).
What are the key properties of 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide?
2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide has a molecular weight of 548.66 g/mol, XLogP of 7.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 126415624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).