(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide

C15H21F2N3O4S — CID 120930349

IUPAC(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)c(F)cc1F
InChIInChI=1S/C15H21F2N3O4S/c1-3-6-25(22,23)20-13-8-12(10(16)7-11(13)17)19-15(21)14-9(2)24-5-4-18-14/h7-9,14,18,20H,3-6H2,1-2H3,(H,19,21)/t9-,14+/m1/s1
InChIKeyJYDXIMXFKGPHBH-OTYXRUKQSA-N
MW377.41 g/mol
LogP1.43
Rot. Bonds6

About (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120930349) has the molecular formula C15H21F2N3O4S and a molecular weight of 377.41 g/mol. Its IUPAC name is (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120930349
Molecular FormulaC15H21F2N3O4S
Molecular Weight377.41 g/mol
Exact Mass377.12
IUPAC Name(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)c(F)cc1F
InChIInChI=1S/C15H21F2N3O4S/c1-3-6-25(22,23)20-13-8-12(10(16)7-11(13)17)19-15(21)14-9(2)24-5-4-18-14/h7-9,14,18,20H,3-6H2,1-2H3,(H,19,21)/t9-,14+/m1/s1
InChIKeyJYDXIMXFKGPHBH-OTYXRUKQSA-N
XLogP1.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide (CID 120930349) is (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide is CCCS(=O)(=O)Nc1cc(NC(=O)[C@H]2NCCO[C@@H]2C)c(F)cc1F.
What is the InChIKey of (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is JYDXIMXFKGPHBH-OTYXRUKQSA-N. The full InChI is InChI=1S/C15H21F2N3O4S/c1-3-6-25(22,23)20-13-8-12(10(16)7-11(13)17)19-15(21)14-9(2)24-5-4-18-14/h7-9,14,18,20H,3-6H2,1-2H3,(H,19,21)/t9-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2,4-difluoro-5-(propylsulfonylamino)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120930349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).