2-benzylsulfonyl-N-cycloheptylpropanamide

C17H25NO3S — CID 46589032

IUPAC2-benzylsulfonyl-N-cycloheptylpropanamide
SMILESCC(C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H25NO3S/c1-14(17(19)18-16-11-7-2-3-8-12-16)22(20,21)13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,18,19)
InChIKeyOFIXZHDHVLAPMI-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.83
Rot. Bonds5

About 2-benzylsulfonyl-N-cycloheptylpropanamide

2-benzylsulfonyl-N-cycloheptylpropanamide (PubChem CID 46589032) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-cycloheptylpropanamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-cycloheptylpropanamide
PubChem CID46589032
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name2-benzylsulfonyl-N-cycloheptylpropanamide
SMILESCC(C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H25NO3S/c1-14(17(19)18-16-11-7-2-3-8-12-16)22(20,21)13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,18,19)
InChIKeyOFIXZHDHVLAPMI-UHFFFAOYSA-N
XLogP2.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-cyclohexylpropanamide
CID 51727076
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
(2R)-2-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 51946867
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
N-cyclopropyl-2-(3-phenylprop-2-enylsulfonyl)propanamide
CID 131962739
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 78876876

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-cycloheptylpropanamide?
The IUPAC name of 2-benzylsulfonyl-N-cycloheptylpropanamide (CID 46589032) is 2-benzylsulfonyl-N-cycloheptylpropanamide.
What is the SMILES notation for 2-benzylsulfonyl-N-cycloheptylpropanamide?
The canonical SMILES for 2-benzylsulfonyl-N-cycloheptylpropanamide is CC(C(=O)NC1CCCCCC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-cycloheptylpropanamide?
The InChIKey is OFIXZHDHVLAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-14(17(19)18-16-11-7-2-3-8-12-16)22(20,21)13-15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfonyl-N-cycloheptylpropanamide?
2-benzylsulfonyl-N-cycloheptylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-cycloheptylpropanamide is sourced from PubChem (CID 46589032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).