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

C15H24N2O5S — CID 113148373

IUPAC2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-5-6-9-17(23(4,19)20)11-15(18)16-13-8-7-12(21-2)10-14(13)22-3/h7-8,10H,5-6,9,11H2,1-4H3,(H,16,18)
InChIKeyRNBVJJWVLDOQOK-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.70
Rot. Bonds9

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

2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 113148373) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID113148373
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-5-6-9-17(23(4,19)20)11-15(18)16-13-8-7-12(21-2)10-14(13)22-3/h7-8,10H,5-6,9,11H2,1-4H3,(H,16,18)
InChIKeyRNBVJJWVLDOQOK-UHFFFAOYSA-N
XLogP1.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113148409
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2,4-dimethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30260907
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147585
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855
1-[2-(dibutylamino)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 74226685

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide (CID 113148373) is 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide is CCCCN(CC(=O)Nc1ccc(OC)cc1OC)S(C)(=O)=O.
What is the InChIKey of 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is RNBVJJWVLDOQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-6-9-17(23(4,19)20)11-15(18)16-13-8-7-12(21-2)10-14(13)22-3/h7-8,10H,5-6,9,11H2,1-4H3,(H,16,18).
What are the key properties of 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113148373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).