2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide

C28H26N2O3S — CID 1316829

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C28H26N2O3S/c1-21-12-11-19-27(22(21)2)30(34(32,33)24-15-7-4-8-16-24)20-28(31)29-26-18-10-9-17-25(26)23-13-5-3-6-14-23/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyMNLATDJRCMOWDC-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.80
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide (PubChem CID 1316829) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide
PubChem CID1316829
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C28H26N2O3S/c1-21-12-11-19-27(22(21)2)30(34(32,33)24-15-7-4-8-16-24)20-28(31)29-26-18-10-9-17-25(26)23-13-5-3-6-14-23/h3-19H,20H2,1-2H3,(H,29,31)
InChIKeyMNLATDJRCMOWDC-UHFFFAOYSA-N
XLogP5.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide (CID 1316829) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide is Cc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide?
The InChIKey is MNLATDJRCMOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-21-12-11-19-27(22(21)2)30(34(32,33)24-15-7-4-8-16-24)20-28(31)29-26-18-10-9-17-25(26)23-13-5-3-6-14-23/h3-19H,20H2,1-2H3,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide has a molecular weight of 470.59 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1316829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).