N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

C17H26N2O4S — CID 113067675

IUPACN-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCOc1ccccc1CCN(CCNC(=O)C1CCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-23-16-9-4-3-6-14(16)10-12-19(24(2,21)22)13-11-18-17(20)15-7-5-8-15/h3-4,6,9,15H,5,7-8,10-13H2,1-2H3,(H,18,20)
InChIKeyTXZDHGPSWWWILV-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.42
Rot. Bonds9

About N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide

N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (PubChem CID 113067675) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
PubChem CID113067675
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
SMILESCOc1ccccc1CCN(CCNC(=O)C1CCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O4S/c1-23-16-9-4-3-6-14(16)10-12-19(24(2,21)22)13-11-18-17(20)15-7-5-8-15/h3-4,6,9,15H,5,7-8,10-13H2,1-2H3,(H,18,20)
InChIKeyTXZDHGPSWWWILV-UHFFFAOYSA-N
XLogP1.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
CID 113067650
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113067658
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066419
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113066986
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide (CID 113067675) is N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is COc1ccccc1CCN(CCNC(=O)C1CCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
The InChIKey is TXZDHGPSWWWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-9-4-3-6-14(16)10-12-19(24(2,21)22)13-11-18-17(20)15-7-5-8-15/h3-4,6,9,15H,5,7-8,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide?
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113067675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).