2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide

C20H26N2O3S — CID 100787443

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
SMILESCN(c1ccc(CC(=O)NCC(C)(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-20(2,3)15-21-19(23)14-16-10-12-17(13-11-16)22(4)26(24,25)18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,21,23)
InChIKeyBMPJZGTZNWQDOA-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.22
Rot. Bonds6

About 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 100787443) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID100787443
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
SMILESCN(c1ccc(CC(=O)NCC(C)(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-20(2,3)15-21-19(23)14-16-10-12-17(13-11-16)22(4)26(24,25)18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,21,23)
InChIKeyBMPJZGTZNWQDOA-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
CID 133260941
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 100787738
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide (CID 100787443) is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide is CN(c1ccc(CC(=O)NCC(C)(C)C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is BMPJZGTZNWQDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-20(2,3)15-21-19(23)14-16-10-12-17(13-11-16)22(4)26(24,25)18-8-6-5-7-9-18/h5-13H,14-15H2,1-4H3,(H,21,23).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 100787443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).