N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide

C20H24N2O4S — CID 23722959

IUPACN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O4S/c23-20(13-8-16-5-2-1-3-6-16)22-17-9-11-19(12-10-17)27(24,25)21-15-18-7-4-14-26-18/h1-3,5-6,9-12,18,21H,4,7-8,13-15H2,(H,22,23)
InChIKeyGHCLIZVMVLSQTN-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.72
Rot. Bonds8

About N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide (PubChem CID 23722959) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
PubChem CID23722959
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H24N2O4S/c23-20(13-8-16-5-2-1-3-6-16)22-17-9-11-19(12-10-17)27(24,25)21-15-18-7-4-14-26-18/h1-3,5-6,9-12,18,21H,4,7-8,13-15H2,(H,22,23)
InChIKeyGHCLIZVMVLSQTN-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 2974345
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2963217
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104629
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide (CID 23722959) is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide?
The InChIKey is GHCLIZVMVLSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-20(13-8-16-5-2-1-3-6-16)22-17-9-11-19(12-10-17)27(24,25)21-15-18-7-4-14-26-18/h1-3,5-6,9-12,18,21H,4,7-8,13-15H2,(H,22,23).
What are the key properties of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide?
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 23722959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).