4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C20H23N3O5S — CID 652472

IUPAC4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H23N3O5S/c1-14(24)22-16-6-4-15(5-7-16)20(25)23-17-8-10-19(11-9-17)29(26,27)21-13-18-3-2-12-28-18/h4-11,18,21H,2-3,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyGITJUBDPCOOXQH-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.35
Rot. Bonds7

About 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 652472) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID652472
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H23N3O5S/c1-14(24)22-16-6-4-15(5-7-16)20(25)23-17-8-10-19(11-9-17)29(26,27)21-13-18-3-2-12-28-18/h4-11,18,21H,2-3,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyGITJUBDPCOOXQH-UHFFFAOYSA-N
XLogP2.35
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 652472) is 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is GITJUBDPCOOXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14(24)22-16-6-4-15(5-7-16)20(25)23-17-8-10-19(11-9-17)29(26,27)21-13-18-3-2-12-28-18/h4-11,18,21H,2-3,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 652472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).