N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide

C23H37NO4S — CID 25023448

IUPACN-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C23H37NO4S/c1-20-17-18-22(24-29(26,27)19-21-13-9-8-10-14-21)15-11-6-4-2-3-5-7-12-16-23(25)28-20/h8-10,13-14,20,22,24H,2-7,11-12,15-19H2,1H3
InChIKeyRNNGPENRYVCNLD-UHFFFAOYSA-N
MW423.62 g/mol
LogP5.10
Rot. Bonds4

About N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide

N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide (PubChem CID 25023448) has the molecular formula C23H37NO4S and a molecular weight of 423.62 g/mol. Its IUPAC name is N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
PubChem CID25023448
Molecular FormulaC23H37NO4S
Molecular Weight423.62 g/mol
Exact Mass423.24
IUPAC NameN-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C23H37NO4S/c1-20-17-18-22(24-29(26,27)19-21-13-9-8-10-14-21)15-11-6-4-2-3-5-7-12-16-23(25)28-20/h8-10,13-14,20,22,24H,2-7,11-12,15-19H2,1H3
InChIKeyRNNGPENRYVCNLD-UHFFFAOYSA-N
XLogP5.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(benzylsulfonylamino)-3-(4-methylphenyl)propanoate
CID 3967816
N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023258
4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023259
N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023384
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023386
4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023387
4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023443
Tert-butyl 7-phenyl-4-(trifluoromethylsulfonylamino)heptanoate
CID 138973900
7-[5-[(4-Fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid
CID 67794841
7-[(5S)-5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoic acid
CID 67794842
methyl 7-[(5S)-5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoate
CID 67797270
ethyl (2S)-2-(fluoromethylsulfonylamino)-3-phenylpropanoate
CID 140991039

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide (CID 25023448) is N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide is CC1CCC(NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1.
What is the InChIKey of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is RNNGPENRYVCNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4S/c1-20-17-18-22(24-29(26,27)19-21-13-9-8-10-14-21)15-11-6-4-2-3-5-7-12-16-23(25)28-20/h8-10,13-14,20,22,24H,2-7,11-12,15-19H2,1H3.
What are the key properties of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 423.62 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 25023448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).