N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide

C16H22N2O5S — CID 78318339

IUPACN-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C16H22N2O5S/c1-2-3-4-5-15(19)17-12-6-8-13(9-7-12)24(21,22)18-14-10-11-23-16(14)20/h6-9,14,18H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyAWBGSBBHHGYPBE-AWEZNQCLSA-N
MW354.43 g/mol
LogP1.80
Rot. Bonds8

About N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide

N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide (PubChem CID 78318339) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide
PubChem CID78318339
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C16H22N2O5S/c1-2-3-4-5-15(19)17-12-6-8-13(9-7-12)24(21,22)18-14-10-11-23-16(14)20/h6-9,14,18H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyAWBGSBBHHGYPBE-AWEZNQCLSA-N
XLogP1.80
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide?
The IUPAC name of N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide (CID 78318339) is N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide?
The InChIKey is AWBGSBBHHGYPBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-2-3-4-5-15(19)17-12-6-8-13(9-7-12)24(21,22)18-14-10-11-23-16(14)20/h6-9,14,18H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide?
N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide has a molecular weight of 354.43 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]hexanamide is sourced from PubChem (CID 78318339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).