3-benzylsulfonyl-N-cyclohexylpropanamide

C16H23NO3S — CID 2226956

IUPAC3-benzylsulfonyl-N-cyclohexylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H23NO3S/c18-16(17-15-9-5-2-6-10-15)11-12-21(19,20)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18)
InChIKeyDOFUTKPTHDOSED-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.44
Rot. Bonds6

About 3-benzylsulfonyl-N-cyclohexylpropanamide

3-benzylsulfonyl-N-cyclohexylpropanamide (PubChem CID 2226956) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-cyclohexylpropanamide
PubChem CID2226956
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name3-benzylsulfonyl-N-cyclohexylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H23NO3S/c18-16(17-15-9-5-2-6-10-15)11-12-21(19,20)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18)
InChIKeyDOFUTKPTHDOSED-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-cyclohexylpropanamide?
The IUPAC name of 3-benzylsulfonyl-N-cyclohexylpropanamide (CID 2226956) is 3-benzylsulfonyl-N-cyclohexylpropanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-cyclohexylpropanamide?
The canonical SMILES for 3-benzylsulfonyl-N-cyclohexylpropanamide is O=C(CCS(=O)(=O)Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of 3-benzylsulfonyl-N-cyclohexylpropanamide?
The InChIKey is DOFUTKPTHDOSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-16(17-15-9-5-2-6-10-15)11-12-21(19,20)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18).
What are the key properties of 3-benzylsulfonyl-N-cyclohexylpropanamide?
3-benzylsulfonyl-N-cyclohexylpropanamide has a molecular weight of 309.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-cyclohexylpropanamide is sourced from PubChem (CID 2226956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).