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

C21H27N3O6S — CID 55638218

IUPAC5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)ccc1O
InChIInChI=1S/C21H27N3O6S/c1-23(2)31(27,28)16-5-6-18(24-8-10-30-11-9-24)17(13-16)21(26)22-14-15-4-7-19(25)20(12-15)29-3/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,22,26)
InChIKeyHUJHXVVHSOLBBE-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.42
Rot. Bonds7

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

5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 55638218) has the molecular formula C21H27N3O6S and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID55638218
Molecular FormulaC21H27N3O6S
Molecular Weight449.53 g/mol
Exact Mass449.16
IUPAC Name5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)ccc1O
InChIInChI=1S/C21H27N3O6S/c1-23(2)31(27,28)16-5-6-18(24-8-10-30-11-9-24)17(13-16)21(26)22-14-15-4-7-19(25)20(12-15)29-3/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,22,26)
InChIKeyHUJHXVVHSOLBBE-UHFFFAOYSA-N
XLogP1.42
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
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
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55679317
[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-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide (CID 55638218) is 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide is COc1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)ccc1O.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is HUJHXVVHSOLBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S/c1-23(2)31(27,28)16-5-6-18(24-8-10-30-11-9-24)17(13-16)21(26)22-14-15-4-7-19(25)20(12-15)29-3/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,22,26).
What are the key properties of 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide?
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 449.53 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55638218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).