N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide

C20H32FN3O4S — CID 20629401

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC1CN(c2cc(F)ccc2NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)O1
InChIInChI=1S/C20H32FN3O4S/c1-14(2)29(26,27)22-10-6-5-7-20(25)23-18-9-8-17(21)11-19(18)24-12-15(3)28-16(4)13-24/h8-9,11,14-16,22H,5-7,10,12-13H2,1-4H3,(H,23,25)
InChIKeyXPWADDLYQQXUGG-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.88
Rot. Bonds9

About N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20629401) has the molecular formula C20H32FN3O4S and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20629401
Molecular FormulaC20H32FN3O4S
Molecular Weight429.56 g/mol
Exact Mass429.21
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC1CN(c2cc(F)ccc2NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)O1
InChIInChI=1S/C20H32FN3O4S/c1-14(2)29(26,27)22-10-6-5-7-20(25)23-18-9-8-17(21)11-19(18)24-12-15(3)28-16(4)13-24/h8-9,11,14-16,22H,5-7,10,12-13H2,1-4H3,(H,23,25)
InChIKeyXPWADDLYQQXUGG-UHFFFAOYSA-N
XLogP2.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.88
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-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 20629401) is N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide is CC1CN(c2cc(F)ccc2NC(=O)CCCCNS(=O)(=O)C(C)C)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is XPWADDLYQQXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O4S/c1-14(2)29(26,27)22-10-6-5-7-20(25)23-18-9-8-17(21)11-19(18)24-12-15(3)28-16(4)13-24/h8-9,11,14-16,22H,5-7,10,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 429.56 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20629401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).