N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide

C22H21BrN2O4S — CID 17441508

IUPACN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)c1
InChIInChI=1S/C22H21BrN2O4S/c1-15-9-10-20(23)21(11-15)25-30(27,28)19-8-4-6-17(14-19)24-22(26)13-16-5-3-7-18(12-16)29-2/h3-12,14,25H,13H2,1-2H3,(H,24,26)
InChIKeyQGXRBGMTUDUBBH-UHFFFAOYSA-N
MW489.39 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 17441508) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID17441508
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)c1
InChIInChI=1S/C22H21BrN2O4S/c1-15-9-10-20(23)21(11-15)25-30(27,28)19-8-4-6-17(14-19)24-22(26)13-16-5-3-7-18(12-16)29-2/h3-12,14,25H,13H2,1-2H3,(H,24,26)
InChIKeyQGXRBGMTUDUBBH-UHFFFAOYSA-N
XLogP4.75
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17499967
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 3628701
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 42990204
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide (CID 17441508) is N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3cc(C)ccc3Br)c2)c1.
What is the InChIKey of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is QGXRBGMTUDUBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-15-9-10-20(23)21(11-15)25-30(27,28)19-8-4-6-17(14-19)24-22(26)13-16-5-3-7-18(12-16)29-2/h3-12,14,25H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide?
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 489.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 17441508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).