3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide

C20H33N3O4S — CID 20970535

IUPAC3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H33N3O4S/c1-4-17(3)19(22-28(25,26)18-8-6-16(2)7-9-18)20(24)21-10-5-11-23-12-14-27-15-13-23/h6-9,17,19,22H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyZSUYHKDSUMYHCQ-UHFFFAOYSA-N
MW411.57 g/mol
LogP1.53
Rot. Bonds10

About 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide

3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide (PubChem CID 20970535) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide
PubChem CID20970535
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C20H33N3O4S/c1-4-17(3)19(22-28(25,26)18-8-6-16(2)7-9-18)20(24)21-10-5-11-23-12-14-27-15-13-23/h6-9,17,19,22H,4-5,10-15H2,1-3H3,(H,21,24)
InChIKeyZSUYHKDSUMYHCQ-UHFFFAOYSA-N
XLogP1.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 51.53
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 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide (CID 20970535) is 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide is CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide?
The InChIKey is ZSUYHKDSUMYHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-4-17(3)19(22-28(25,26)18-8-6-16(2)7-9-18)20(24)21-10-5-11-23-12-14-27-15-13-23/h6-9,17,19,22H,4-5,10-15H2,1-3H3,(H,21,24).
What are the key properties of 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide?
3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide has a molecular weight of 411.57 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 20970535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).