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

C24H32FN3O4S — CID 20630073

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCCc1c(N2CC(C)OC(C)C2)ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)c1F
InChIInChI=1S/C24H32FN3O4S/c1-6-20-22(28-13-16(4)32-17(5)14-28)12-11-21(23(20)25)26-24(29)18-7-9-19(10-8-18)27-33(30,31)15(2)3/h7-12,15-17,27H,6,13-14H2,1-5H3,(H,26,29)
InChIKeyFIUJETRSBGBOFF-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.40
Rot. Bonds7

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

N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 20630073) has the molecular formula C24H32FN3O4S and a molecular weight of 477.60 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
PubChem CID20630073
Molecular FormulaC24H32FN3O4S
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
SMILESCCc1c(N2CC(C)OC(C)C2)ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)c1F
InChIInChI=1S/C24H32FN3O4S/c1-6-20-22(28-13-16(4)32-17(5)14-28)12-11-21(23(20)25)26-24(29)18-7-9-19(10-8-18)27-33(30,31)15(2)3/h7-12,15-17,27H,6,13-14H2,1-5H3,(H,26,29)
InChIKeyFIUJETRSBGBOFF-UHFFFAOYSA-N
XLogP4.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630011
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
N-[4-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluoroanilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376735
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
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-7-propan-2-ylsulfonylheptan-2-one
CID 58143839
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
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
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
(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine
CID 59546197

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide (CID 20630073) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide is CCc1c(N2CC(C)OC(C)C2)ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)c1F.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
The InChIKey is FIUJETRSBGBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O4S/c1-6-20-22(28-13-16(4)32-17(5)14-28)12-11-21(23(20)25)26-24(29)18-7-9-19(10-8-18)27-33(30,31)15(2)3/h7-12,15-17,27H,6,13-14H2,1-5H3,(H,26,29).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide has a molecular weight of 477.60 g/mol, XLogP of 4.40, 7 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)-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 20630073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).