N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide

C16H24N2O4S — CID 113070738

IUPACN-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(N(CCNC(=O)C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-15-8-6-14(7-9-15)18(23(3,20)21)11-10-17-16(19)13-4-5-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyLZLADLVBEPXTOA-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.77
Rot. Bonds8

About N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide

N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide (PubChem CID 113070738) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
PubChem CID113070738
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(N(CCNC(=O)C2CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-15-8-6-14(7-9-15)18(23(3,20)21)11-10-17-16(19)13-4-5-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyLZLADLVBEPXTOA-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
CID 113145049
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113071622
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30267086
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide (CID 113070738) is N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide is CC(C)Oc1ccc(N(CCNC(=O)C2CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide?
The InChIKey is LZLADLVBEPXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)22-15-8-6-14(7-9-15)18(23(3,20)21)11-10-17-16(19)13-4-5-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide?
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113070738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).