N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H23N3O5S — CID 24539464

IUPACN-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H23N3O5S/c1-14(24)22-16-7-9-17(10-8-16)23-20(25)15-4-2-6-19(12-15)29(26,27)21-13-18-5-3-11-28-18/h2,4,6-10,12,18,21H,3,5,11,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyDSZNBBOMAXJIBC-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.35
Rot. Bonds7

About N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24539464) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID24539464
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H23N3O5S/c1-14(24)22-16-7-9-17(10-8-16)23-20(25)15-4-2-6-19(12-15)29(26,27)21-13-18-5-3-11-28-18/h2,4,6-10,12,18,21H,3,5,11,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyDSZNBBOMAXJIBC-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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Related Compounds

N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43057770
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648821
N-(4-ethoxy-3-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30545290

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 24539464) is N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is DSZNBBOMAXJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14(24)22-16-7-9-17(10-8-16)23-20(25)15-4-2-6-19(12-15)29(26,27)21-13-18-5-3-11-28-18/h2,4,6-10,12,18,21H,3,5,11,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)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 N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24539464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).