N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide

C15H22N2O4S — CID 113070461

IUPACN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
SMILESCOc1cccc(N(CCNC(=O)C2CCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-21-14-8-4-7-13(11-14)17(22(2,19)20)10-9-16-15(18)12-5-3-6-12/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyFILKMLLBYUJMSX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.38
Rot. Bonds7

About N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide (PubChem CID 113070461) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
PubChem CID113070461
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
SMILESCOc1cccc(N(CCNC(=O)C2CCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-21-14-8-4-7-13(11-14)17(22(2,19)20)10-9-16-15(18)12-5-3-6-12/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyFILKMLLBYUJMSX-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
CID 24750194
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113071622
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide (CID 113070461) is N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide is COc1cccc(N(CCNC(=O)C2CCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
The InChIKey is FILKMLLBYUJMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-8-4-7-13(11-14)17(22(2,19)20)10-9-16-15(18)12-5-3-6-12/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113070461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).