N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide

C18H21BrN2O5S — CID 17455890

IUPACN-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OC
InChIInChI=1S/C18H21BrN2O5S/c1-12-10-14(19)5-6-15(12)21-18(22)13-4-7-16(26-3)17(11-13)27(23,24)20-8-9-25-2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyZINCANYDRVRICQ-UHFFFAOYSA-N
MW457.35 g/mol
LogP2.94
Rot. Bonds8

About N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide

N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 17455890) has the molecular formula C18H21BrN2O5S and a molecular weight of 457.35 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
PubChem CID17455890
Molecular FormulaC18H21BrN2O5S
Molecular Weight457.35 g/mol
Exact Mass456.04
IUPAC NameN-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OC
InChIInChI=1S/C18H21BrN2O5S/c1-12-10-14(19)5-6-15(12)21-18(22)13-4-7-16(26-3)17(11-13)27(23,24)20-8-9-25-2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyZINCANYDRVRICQ-UHFFFAOYSA-N
XLogP2.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252001
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide (CID 17455890) is N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OC.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is ZINCANYDRVRICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O5S/c1-12-10-14(19)5-6-15(12)21-18(22)13-4-7-16(26-3)17(11-13)27(23,24)20-8-9-25-2/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide?
N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 457.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 17455890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).