2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide

C24H26N2O3S — CID 1334007

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-12-14-21(15-13-18)16-25-24(27)17-26(23-11-7-8-19(2)20(23)3)30(28,29)22-9-5-4-6-10-22/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyTXASKFMKMBYKON-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.12
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1334007) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1334007
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-12-14-21(15-13-18)16-25-24(27)17-26(23-11-7-8-19(2)20(23)3)30(28,29)22-9-5-4-6-10-22/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyTXASKFMKMBYKON-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.12
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-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide (CID 1334007) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is TXASKFMKMBYKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-12-14-21(15-13-18)16-25-24(27)17-26(23-11-7-8-19(2)20(23)3)30(28,29)22-9-5-4-6-10-22/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.12, 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1334007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).