N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide

C22H27F2N3O4S — CID 20630011

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)c(F)c2F)CC(C)O1
InChIInChI=1S/C22H27F2N3O4S/c1-13(2)32(29,30)26-17-7-5-16(6-8-17)22(28)25-18-9-10-19(21(24)20(18)23)27-11-14(3)31-15(4)12-27/h5-10,13-15,26H,11-12H2,1-4H3,(H,25,28)
InChIKeyIMBCNECOXCOEMC-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.98
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide

N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 20630011) has the molecular formula C22H27F2N3O4S and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID20630011
Molecular FormulaC22H27F2N3O4S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)c(F)c2F)CC(C)O1
InChIInChI=1S/C22H27F2N3O4S/c1-13(2)32(29,30)26-17-7-5-16(6-8-17)22(28)25-18-9-10-19(21(24)20(18)23)27-11-14(3)31-15(4)12-27/h5-10,13-15,26H,11-12H2,1-4H3,(H,25,28)
InChIKeyIMBCNECOXCOEMC-UHFFFAOYSA-N
XLogP3.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630073
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
N-[2-methyl-4-(2,3,6-trimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20628836
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide
CID 160604379
4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
CID 70839117
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[2-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629397
3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide
CID 94525443
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20630093

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 20630011) is N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide is CC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)c(F)c2F)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is IMBCNECOXCOEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4S/c1-13(2)32(29,30)26-17-7-5-16(6-8-17)22(28)25-18-9-10-19(21(24)20(18)23)27-11-14(3)31-15(4)12-27/h5-10,13-15,26H,11-12H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 467.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 20630011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).