2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide

C19H30FN3O4S2 — CID 4878801

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H30FN3O4S2/c1-19(2,23-9-11-27-12-10-23)14-21-18(24)16(8-13-28-3)22-29(25,26)17-7-5-4-6-15(17)20/h4-7,16,22H,8-14H2,1-3H3,(H,21,24)
InChIKeyQKSYEPLBPOQFND-UHFFFAOYSA-N
MW447.60 g/mol
LogP1.45
Rot. Bonds10

About 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide

2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide (PubChem CID 4878801) has the molecular formula C19H30FN3O4S2 and a molecular weight of 447.60 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
PubChem CID4878801
Molecular FormulaC19H30FN3O4S2
Molecular Weight447.60 g/mol
Exact Mass447.17
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H30FN3O4S2/c1-19(2,23-9-11-27-12-10-23)14-21-18(24)16(8-13-28-3)22-29(25,26)17-7-5-4-6-15(17)20/h4-7,16,22H,8-14H2,1-3H3,(H,21,24)
InChIKeyQKSYEPLBPOQFND-UHFFFAOYSA-N
XLogP1.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide (CID 4878801) is 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide?
The InChIKey is QKSYEPLBPOQFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O4S2/c1-19(2,23-9-11-27-12-10-23)14-21-18(24)16(8-13-28-3)22-29(25,26)17-7-5-4-6-15(17)20/h4-7,16,22H,8-14H2,1-3H3,(H,21,24).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide has a molecular weight of 447.60 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 4878801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).