5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide

C22H26FN3O4S2 — CID 26469062

IUPAC5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C22H26FN3O4S2/c1-25(2)32(28,29)16-4-5-20(26-8-10-30-11-9-26)18(14-16)22(27)24-19-7-12-31-21-6-3-15(23)13-17(19)21/h3-6,13-14,19H,7-12H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyWXRTZRNDAYWWEX-LJQANCHMSA-N
MW479.60 g/mol
LogP2.88
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide

5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide (PubChem CID 26469062) has the molecular formula C22H26FN3O4S2 and a molecular weight of 479.60 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
PubChem CID26469062
Molecular FormulaC22H26FN3O4S2
Molecular Weight479.60 g/mol
Exact Mass479.13
IUPAC Name5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1
InChIInChI=1S/C22H26FN3O4S2/c1-25(2)32(28,29)16-4-5-20(26-8-10-30-11-9-26)18(14-16)22(27)24-19-7-12-31-21-6-3-15(23)13-17(19)21/h3-6,13-14,19H,7-12H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyWXRTZRNDAYWWEX-LJQANCHMSA-N
XLogP2.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 27288409
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methyl-5-methylsulfonylbenzamide
CID 51481709
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55433092
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 55536683
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25411559
4-[(1S)-1-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 97314700
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide (CID 26469062) is 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
The InChIKey is WXRTZRNDAYWWEX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26FN3O4S2/c1-25(2)32(28,29)16-4-5-20(26-8-10-30-11-9-26)18(14-16)22(27)24-19-7-12-31-21-6-3-15(23)13-17(19)21/h3-6,13-14,19H,7-12H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide?
5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide has a molecular weight of 479.60 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 26469062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).