5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide

C21H26FN3O5S — CID 55669624

IUPAC5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1F
InChIInChI=1S/C21H26FN3O5S/c1-24(2)31(27,28)16-5-6-19(25-8-10-30-11-9-25)17(13-16)21(26)23-14-15-4-7-20(29-3)18(22)12-15/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyDVCDWTYEZKHNOO-UHFFFAOYSA-N
MW451.52 g/mol
LogP1.85
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide

5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 55669624) has the molecular formula C21H26FN3O5S and a molecular weight of 451.52 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID55669624
Molecular FormulaC21H26FN3O5S
Molecular Weight451.52 g/mol
Exact Mass451.16
IUPAC Name5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1F
InChIInChI=1S/C21H26FN3O5S/c1-24(2)31(27,28)16-5-6-19(25-8-10-30-11-9-25)17(13-16)21(26)23-14-15-4-7-20(29-3)18(22)12-15/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyDVCDWTYEZKHNOO-UHFFFAOYSA-N
XLogP1.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42984800
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16625939
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55679317
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide (CID 55669624) is 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide is COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)cc1F.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is DVCDWTYEZKHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O5S/c1-24(2)31(27,28)16-5-6-19(25-8-10-30-11-9-25)17(13-16)21(26)23-14-15-4-7-20(29-3)18(22)12-15/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26).
What are the key properties of 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 451.52 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55669624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).