2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide

C15H24N2O5S — CID 113152964

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)17(23(6,19)20)10-14(18)16-12-8-7-11(21-4)9-13(12)22-5/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyARLNJVTWKKCHKK-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.70
Rot. Bonds6

About 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 113152964) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID113152964
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)17(23(6,19)20)10-14(18)16-12-8-7-11(21-4)9-13(12)22-5/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyARLNJVTWKKCHKK-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113152955
2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113153011
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(2,4-dimethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260907
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 17052667
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 45374620
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide (CID 113152964) is 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is ARLNJVTWKKCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-15(2,3)17(23(6,19)20)10-14(18)16-12-8-7-11(21-4)9-13(12)22-5/h7-9H,10H2,1-6H3,(H,16,18).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113152964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).