(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide

C15H23N3O4S — CID 95772641

IUPAC(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1
InChIInChI=1S/C15H23N3O4S/c1-3-10-23(20,21)17-14-6-4-13(5-7-14)16-15(19)18-8-9-22-12(2)11-18/h4-7,12,17H,3,8-11H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyFWIHRHCYMYHXSL-GFCCVEGCSA-N
MW341.43 g/mol
LogP2.09
Rot. Bonds5

About (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide

(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide (PubChem CID 95772641) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
PubChem CID95772641
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1
InChIInChI=1S/C15H23N3O4S/c1-3-10-23(20,21)17-14-6-4-13(5-7-14)16-15(19)18-8-9-22-12(2)11-18/h4-7,12,17H,3,8-11H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyFWIHRHCYMYHXSL-GFCCVEGCSA-N
XLogP2.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
CID 110352756
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
ethyl (E)-3-[4-[[(2R)-2-methylmorpholine-4-carbonyl]amino]phenyl]prop-2-enoate
CID 94163940
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 94167830
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-methylmorpholine-4-carboxamide
CID 94165295
5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 110352750
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide (CID 95772641) is (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide is CCCS(=O)(=O)Nc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1.
What is the InChIKey of (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide?
The InChIKey is FWIHRHCYMYHXSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-10-23(20,21)17-14-6-4-13(5-7-14)16-15(19)18-8-9-22-12(2)11-18/h4-7,12,17H,3,8-11H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide?
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 95772641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).