N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide

C16H24N2O4S — CID 113067686

IUPACN-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cccc(CCN(CCNC(=O)C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-5-3-4-13(12-15)8-10-18(23(2,20)21)11-9-17-16(19)14-6-7-14/h3-5,12,14H,6-11H2,1-2H3,(H,17,19)
InChIKeyVIGMFDYYNIVSHZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.03
Rot. Bonds9

About N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide

N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide (PubChem CID 113067686) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
PubChem CID113067686
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1cccc(CCN(CCNC(=O)C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H24N2O4S/c1-22-15-5-3-4-13(12-15)8-10-18(23(2,20)21)11-9-17-16(19)14-6-7-14/h3-5,12,14H,6-11H2,1-2H3,(H,17,19)
InChIKeyVIGMFDYYNIVSHZ-UHFFFAOYSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113067675
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113140433
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113152194

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide (CID 113067686) is N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide is COc1cccc(CCN(CCNC(=O)C2CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VIGMFDYYNIVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-5-3-4-13(12-15)8-10-18(23(2,20)21)11-9-17-16(19)14-6-7-14/h3-5,12,14H,6-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide?
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).