N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide

C17H19NO4S — CID 66767113

IUPACN-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1ccccc1Oc1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-12(2)15-6-4-5-7-16(15)22-14-10-8-13(9-11-14)17(19)18-23(3,20)21/h4-12H,1-3H3,(H,18,19)
InChIKeyWJOKOLOVHUCYDP-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.29
Rot. Bonds5

About N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide

N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide (PubChem CID 66767113) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide
PubChem CID66767113
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1ccccc1Oc1ccc(C(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-12(2)15-6-4-5-7-16(15)22-14-10-8-13(9-11-14)17(19)18-23(3,20)21/h4-12H,1-3H3,(H,18,19)
InChIKeyWJOKOLOVHUCYDP-UHFFFAOYSA-N
XLogP3.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide?
The IUPAC name of N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide (CID 66767113) is N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide?
The canonical SMILES for N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide is CC(C)c1ccccc1Oc1ccc(C(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide?
The InChIKey is WJOKOLOVHUCYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12(2)15-6-4-5-7-16(15)22-14-10-8-13(9-11-14)17(19)18-23(3,20)21/h4-12H,1-3H3,(H,18,19).
What are the key properties of N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide?
N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide has a molecular weight of 333.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-(2-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 66767113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).