N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C19H22N2O5S — CID 2987883

IUPACN-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O5S/c1-25-18-10-9-16(27(23,24)20-13-15-8-5-11-26-15)12-17(18)21-19(22)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15,20H,5,8,11,13H2,1H3,(H,21,22)
InChIKeyCIDDUHYIYFLEDX-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.40
Rot. Bonds7

About N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 2987883) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID2987883
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O5S/c1-25-18-10-9-16(27(23,24)20-13-15-8-5-11-26-15)12-17(18)21-19(22)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15,20H,5,8,11,13H2,1H3,(H,21,22)
InChIKeyCIDDUHYIYFLEDX-UHFFFAOYSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 2987883) is N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NCC2CCCO2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is CIDDUHYIYFLEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-18-10-9-16(27(23,24)20-13-15-8-5-11-26-15)12-17(18)21-19(22)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15,20H,5,8,11,13H2,1H3,(H,21,22).
What are the key properties of N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2987883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).