2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide

C24H25N3O5S — CID 166429332

IUPAC2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide
SMILESCNC(=O)c1ccc(-c2cccc(C(C)N(C)C(=O)c3cc(S(N)(=O)=O)ccc3O)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-15(27(3)24(30)21-14-20(33(25,31)32)11-12-22(21)28)18-5-4-6-19(13-18)16-7-9-17(10-8-16)23(29)26-2/h4-15,28H,1-3H3,(H,26,29)(H2,25,31,32)
InChIKeyQSNCLIFXMDAPHJ-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.90
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide

2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide (PubChem CID 166429332) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide
PubChem CID166429332
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide
SMILESCNC(=O)c1ccc(-c2cccc(C(C)N(C)C(=O)c3cc(S(N)(=O)=O)ccc3O)c2)cc1
InChIInChI=1S/C24H25N3O5S/c1-15(27(3)24(30)21-14-20(33(25,31)32)11-12-22(21)28)18-5-4-6-19(13-18)16-7-9-17(10-8-16)23(29)26-2/h4-15,28H,1-3H3,(H,26,29)(H2,25,31,32)
InChIKeyQSNCLIFXMDAPHJ-UHFFFAOYSA-N
XLogP2.90
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 56532417
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 112813602
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
2-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]-5-sulfamoylbenzamide
CID 27782394
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41113907

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide (CID 166429332) is 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide is CNC(=O)c1ccc(-c2cccc(C(C)N(C)C(=O)c3cc(S(N)(=O)=O)ccc3O)c2)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide?
The InChIKey is QSNCLIFXMDAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-15(27(3)24(30)21-14-20(33(25,31)32)11-12-22(21)28)18-5-4-6-19(13-18)16-7-9-17(10-8-16)23(29)26-2/h4-15,28H,1-3H3,(H,26,29)(H2,25,31,32).
What are the key properties of 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide?
2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide has a molecular weight of 467.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[1-[3-[4-(methylcarbamoyl)phenyl]phenyl]ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 166429332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).