N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

C22H28N2O4S — CID 5151307

IUPACN-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17(19-6-3-2-4-7-19)24-29(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-10,12-13,17,20,24H,5,8,11,14-16H2,1H3,(H,23,25)
InChIKeyAOGFQRVDLMJUIC-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.95
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 5151307) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID5151307
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17(19-6-3-2-4-7-19)24-29(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-10,12-13,17,20,24H,5,8,11,14-16H2,1H3,(H,23,25)
InChIKeyAOGFQRVDLMJUIC-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
4-cyclohexyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 16294017
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
3-{4-[(benzylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2956531
3-[(dimethylamino)sulfonyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2966268
N-(2-methylcyclohexyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193337
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3207206
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-pentanoic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3207207
4-[methyl(phenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4255564
N-[(oxolan-2-yl)methyl]-3-(piperidine-1-sulfonyl)benzamide
CID 16300634

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (CID 5151307) is N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is CC(NS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is AOGFQRVDLMJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(19-6-3-2-4-7-19)24-29(26,27)21-12-9-18(10-13-21)11-14-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-10,12-13,17,20,24H,5,8,11,14-16H2,1H3,(H,23,25).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 416.54 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 5151307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).