2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C26H30N2O3S — CID 100571114

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C26H30N2O3S/c1-20-15-16-23(17-21(20)2)28(32(30,31)24-13-9-6-10-14-24)19-25(29)27-26(3,4)18-22-11-7-5-8-12-22/h5-17H,18-19H2,1-4H3,(H,27,29)
InChIKeyVHTVJZOLZCUFDT-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.64
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 100571114) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID100571114
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C26H30N2O3S/c1-20-15-16-23(17-21(20)2)28(32(30,31)24-13-9-6-10-14-24)19-25(29)27-26(3,4)18-22-11-7-5-8-12-22/h5-17H,18-19H2,1-4H3,(H,27,29)
InChIKeyVHTVJZOLZCUFDT-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 91671580
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide
CID 4664363
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126139478
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]benzoate
CID 2280082
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]-(2-phenylethyl)amino]-N-tert-butylpropanamide
CID 132738348

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 100571114) is 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is Cc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is VHTVJZOLZCUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20-15-16-23(17-21(20)2)28(32(30,31)24-13-9-6-10-14-24)19-25(29)27-26(3,4)18-22-11-7-5-8-12-22/h5-17H,18-19H2,1-4H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 450.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 100571114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).