N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide

C21H26N2O5S — CID 17161199

IUPACN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O5S/c1-2-13-28-20-8-4-3-7-19(20)21(24)23-16-9-11-18(12-10-16)29(25,26)22-15-17-6-5-14-27-17/h3-4,7-12,17,22H,2,5-6,13-15H2,1H3,(H,23,24)
InChIKeyOVVZPNULZNLFIY-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.18
Rot. Bonds9

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

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide (PubChem CID 17161199) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
PubChem CID17161199
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O5S/c1-2-13-28-20-8-4-3-7-19(20)21(24)23-16-9-11-18(12-10-16)29(25,26)22-15-17-6-5-14-27-17/h3-4,7-12,17,22H,2,5-6,13-15H2,1H3,(H,23,24)
InChIKeyOVVZPNULZNLFIY-UHFFFAOYSA-N
XLogP3.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethoxy)-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161353
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
CID 17202343
3,4,5-triethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3930366
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17161319
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
3-bromo-4-(2-methoxyethoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17161225
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
CID 1137148
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
4,5-dimethoxy-2-nitro-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 41300869

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide (CID 17161199) is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide?
The InChIKey is OVVZPNULZNLFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-2-13-28-20-8-4-3-7-19(20)21(24)23-16-9-11-18(12-10-16)29(25,26)22-15-17-6-5-14-27-17/h3-4,7-12,17,22H,2,5-6,13-15H2,1H3,(H,23,24).
What are the key properties of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide?
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide has a molecular weight of 418.52 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 17161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).