N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide

C20H25F2N3O7S — CID 10206592

IUPACN-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide
SMILESO=C1CCC1NC(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)N1CCOCC1
InChIInChI=1S/C20H25F2N3O7S/c21-19(22)32-17-4-2-1-3-13(17)11-33(29,30)12-15(18(27)23-14-5-6-16(14)26)24-20(28)25-7-9-31-10-8-25/h1-4,14-15,19H,5-12H2,(H,23,27)(H,24,28)
InChIKeyXUQASASEQOQZNJ-UHFFFAOYSA-N
MW489.50 g/mol
LogP0.46
Rot. Bonds9

About N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide

N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide (PubChem CID 10206592) has the molecular formula C20H25F2N3O7S and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide
PubChem CID10206592
Molecular FormulaC20H25F2N3O7S
Molecular Weight489.50 g/mol
Exact Mass489.14
IUPAC NameN-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide
SMILESO=C1CCC1NC(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)N1CCOCC1
InChIInChI=1S/C20H25F2N3O7S/c21-19(22)32-17-4-2-1-3-13(17)11-33(29,30)12-15(18(27)23-14-5-6-16(14)26)24-20(28)25-7-9-31-10-8-25/h1-4,14-15,19H,5-12H2,(H,23,27)(H,24,28)
InChIKeyXUQASASEQOQZNJ-UHFFFAOYSA-N
XLogP0.46
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide (CID 10206592) is N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide is O=C1CCC1NC(=O)C(CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)N1CCOCC1.
What is the InChIKey of N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide?
The InChIKey is XUQASASEQOQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O7S/c21-19(22)32-17-4-2-1-3-13(17)11-33(29,30)12-15(18(27)23-14-5-6-16(14)26)24-20(28)25-7-9-31-10-8-25/h1-4,14-15,19H,5-12H2,(H,23,27)(H,24,28).
What are the key properties of N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide?
N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(difluoromethoxy)phenyl]methylsulfonyl]-1-oxo-1-[(2-oxocyclobutyl)amino]propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 10206592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).