N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

C21H25F2N3O4S — CID 46588089

IUPACN-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C21H25F2N3O4S/c1-14(17-12-15(22)4-6-19(17)23)24-21(27)18-13-16(31(28,29)25(2)3)5-7-20(18)26-8-10-30-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)
InChIKeyJEVUZHJPCNBQFN-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.54
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 46588089) has the molecular formula C21H25F2N3O4S and a molecular weight of 453.51 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID46588089
Molecular FormulaC21H25F2N3O4S
Molecular Weight453.51 g/mol
Exact Mass453.15
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C21H25F2N3O4S/c1-14(17-12-15(22)4-6-19(17)23)24-21(27)18-13-16(31(28,29)25(2)3)5-7-20(18)26-8-10-30-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,27)
InChIKeyJEVUZHJPCNBQFN-UHFFFAOYSA-N
XLogP2.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112762557
3-[1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-1-methyl-1-propan-2-ylurea
CID 86778801
5-(dimethylsulfamoyl)-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 26469062
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 16563524
N-[(1S)-1-(5-fluoro-2-morpholin-4-ylphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97221800
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109188

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 46588089) is N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is CC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is JEVUZHJPCNBQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4S/c1-14(17-12-15(22)4-6-19(17)23)24-21(27)18-13-16(31(28,29)25(2)3)5-7-20(18)26-8-10-30-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 453.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 46588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).