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

C21H28N2O3S — CID 3107571

IUPAC6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-11-13-20(14-12-18)27(25,26)23-16-7-3-6-10-21(24)22-17-15-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,23H,3,6-7,10,15-17H2,1H3,(H,22,24)
InChIKeySNJXRJJDMFQCAU-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.19
Rot. Bonds11

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

6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide (PubChem CID 3107571) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide
PubChem CID3107571
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-11-13-20(14-12-18)27(25,26)23-16-7-3-6-10-21(24)22-17-15-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,23H,3,6-7,10,15-17H2,1H3,(H,22,24)
InChIKeySNJXRJJDMFQCAU-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide?
The IUPAC name of 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide (CID 3107571) is 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide.
What is the SMILES notation for 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide?
The canonical SMILES for 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide is Cc1ccc(S(=O)(=O)NCCCCCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide?
The InChIKey is SNJXRJJDMFQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18-11-13-20(14-12-18)27(25,26)23-16-7-3-6-10-21(24)22-17-15-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,23H,3,6-7,10,15-17H2,1H3,(H,22,24).
What are the key properties of 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide?
6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide has a molecular weight of 388.53 g/mol, XLogP of 3.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)hexanamide is sourced from PubChem (CID 3107571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).