2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide

C14H22N2O5S — CID 112999249

IUPAC2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O5S/c1-4-5-8-22(18,19)15-10-14(17)16-12-7-6-11(20-2)9-13(12)21-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyKJRYKHBTWVGRHR-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.36
Rot. Bonds9

About 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide

2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 112999249) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID112999249
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCCCCS(=O)(=O)NCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C14H22N2O5S/c1-4-5-8-22(18,19)15-10-14(17)16-12-7-6-11(20-2)9-13(12)21-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17)
InChIKeyKJRYKHBTWVGRHR-UHFFFAOYSA-N
XLogP1.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112999271
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17447496
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide (CID 112999249) is 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide is CCCCS(=O)(=O)NCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is KJRYKHBTWVGRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-5-8-22(18,19)15-10-14(17)16-12-7-6-11(20-2)9-13(12)21-3/h6-7,9,15H,4-5,8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide?
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112999249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).