N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C16H24N2O4S — CID 700539

IUPACN-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-22-15-11-7-6-10-14(15)18(23(2,20)21)12-16(19)17-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyNJXPTSNBUZSPHI-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.91
Rot. Bonds6

About N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 700539) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID700539
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-22-15-11-7-6-10-14(15)18(23(2,20)21)12-16(19)17-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyNJXPTSNBUZSPHI-UHFFFAOYSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 700539) is N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is NJXPTSNBUZSPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-11-7-6-10-14(15)18(23(2,20)21)12-16(19)17-13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 340.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 700539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).