N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide

C16H26N2O4S — CID 3242848

IUPACN-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCOCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O4S/c1-14-7-9-15(10-8-14)23(20,21)18-11-5-3-4-6-16(19)17-12-13-22-2/h7-10,18H,3-6,11-13H2,1-2H3,(H,17,19)
InChIKeyXPMUKDNTCBMYMF-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.60
Rot. Bonds11

About N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide

N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide (PubChem CID 3242848) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
PubChem CID3242848
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCOCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O4S/c1-14-7-9-15(10-8-14)23(20,21)18-11-5-3-4-6-16(19)17-12-13-22-2/h7-10,18H,3-6,11-13H2,1-2H3,(H,17,19)
InChIKeyXPMUKDNTCBMYMF-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The IUPAC name of N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide (CID 3242848) is N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The canonical SMILES for N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide is COCCNC(=O)CCCCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The InChIKey is XPMUKDNTCBMYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-14-7-9-15(10-8-14)23(20,21)18-11-5-3-4-6-16(19)17-12-13-22-2/h7-10,18H,3-6,11-13H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide?
N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide has a molecular weight of 342.46 g/mol, XLogP of 1.60, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[(4-methylphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 3242848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).