2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide

C15H24N2O5S — CID 112995202

IUPAC2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O5S/c1-11(2)7-8-16-15(18)10-17-23(19,20)14-9-12(21-3)5-6-13(14)22-4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyLSFVMQFOYCPIAU-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.14
Rot. Bonds9

About 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide (PubChem CID 112995202) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
PubChem CID112995202
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NCCC(C)C)c1
InChIInChI=1S/C15H24N2O5S/c1-11(2)7-8-16-15(18)10-17-23(19,20)14-9-12(21-3)5-6-13(14)22-4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyLSFVMQFOYCPIAU-UHFFFAOYSA-N
XLogP1.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
CID 3870840
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
CID 17428914
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide (CID 112995202) is 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide is COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is LSFVMQFOYCPIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-11(2)7-8-16-15(18)10-17-23(19,20)14-9-12(21-3)5-6-13(14)22-4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide?
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 112995202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).