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

C21H26N2O6S2 — CID 2974345

IUPAC3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O6S2/c24-21(12-14-30(25,26)16-17-5-2-1-3-6-17)23-18-8-10-20(11-9-18)31(27,28)22-15-19-7-4-13-29-19/h1-3,5-6,8-11,19,22H,4,7,12-16H2,(H,23,24)
InChIKeyMZAZUKGXAJOVTR-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.09
Rot. Bonds10

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

3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide (PubChem CID 2974345) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
PubChem CID2974345
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC Name3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O6S2/c24-21(12-14-30(25,26)16-17-5-2-1-3-6-17)23-18-8-10-20(11-9-18)31(27,28)22-15-19-7-4-13-29-19/h1-3,5-6,8-11,19,22H,4,7,12-16H2,(H,23,24)
InChIKeyMZAZUKGXAJOVTR-UHFFFAOYSA-N
XLogP2.09
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2963217
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
2-[cyclohexyl-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]sulfonylamino]-N-phenylacetamide
CID 98104629
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
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
2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide (CID 2974345) is 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide?
The InChIKey is MZAZUKGXAJOVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c24-21(12-14-30(25,26)16-17-5-2-1-3-6-17)23-18-8-10-20(11-9-18)31(27,28)22-15-19-7-4-13-29-19/h1-3,5-6,8-11,19,22H,4,7,12-16H2,(H,23,24).
What are the key properties of 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide?
3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide has a molecular weight of 466.58 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2974345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).