2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide

C15H24N2O4S — CID 113155171

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)8-9-16-15(18)11-17(22(4,19)20)13-6-5-7-14(10-13)21-3/h5-7,10,12H,8-9,11H2,1-4H3,(H,16,18)
InChIKeyKRGZQNCCKLIDNF-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.62
Rot. Bonds8

About 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 113155171) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
PubChem CID113155171
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1cccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)8-9-16-15(18)11-17(22(4,19)20)13-6-5-7-14(10-13)21-3/h5-7,10,12H,8-9,11H2,1-4H3,(H,16,18)
InChIKeyKRGZQNCCKLIDNF-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155162
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 48557581
N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30220090
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148476
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 126035068

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide (CID 113155171) is 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide is COc1cccc(N(CC(=O)NCCC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is KRGZQNCCKLIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(2)8-9-16-15(18)11-17(22(4,19)20)13-6-5-7-14(10-13)21-3/h5-7,10,12H,8-9,11H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).