N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C22H21F2N3O4S2 — CID 4854454

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2)CC(C)O1
InChIInChI=1S/C22H21F2N3O4S2/c1-13-10-27(11-14(2)31-13)33(29,30)17-6-3-15(4-7-17)21(28)26-22-25-20(12-32-22)18-9-16(23)5-8-19(18)24/h3-9,12-14H,10-11H2,1-2H3,(H,25,26,28)
InChIKeyGUPJBDGUZAZNLS-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 4854454) has the molecular formula C22H21F2N3O4S2 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID4854454
Molecular FormulaC22H21F2N3O4S2
Molecular Weight493.56 g/mol
Exact Mass493.09
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2)CC(C)O1
InChIInChI=1S/C22H21F2N3O4S2/c1-13-10-27(11-14(2)31-13)33(29,30)17-6-3-15(4-7-17)21(28)26-22-25-20(12-32-22)18-9-16(23)5-8-19(18)24/h3-9,12-14H,10-11H2,1-2H3,(H,25,26,28)
InChIKeyGUPJBDGUZAZNLS-UHFFFAOYSA-N
XLogP4.14
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3942275
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2322204
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 42223983
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26207711
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2088924
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27736732
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817076
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 52713593
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 3144396
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 4854454) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is GUPJBDGUZAZNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4S2/c1-13-10-27(11-14(2)31-13)33(29,30)17-6-3-15(4-7-17)21(28)26-22-25-20(12-32-22)18-9-16(23)5-8-19(18)24/h3-9,12-14H,10-11H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 493.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 4854454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).