N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide

C19H23BrN2O4S — CID 60621590

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-19(2,3)22-27(24,25)15-8-6-14(7-9-15)18(23)21-12-13-5-10-17(26-4)16(20)11-13/h5-11,22H,12H2,1-4H3,(H,21,23)
InChIKeyPHESXHGHPFICEO-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.46
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide

N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide (PubChem CID 60621590) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
PubChem CID60621590
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-19(2,3)22-27(24,25)15-8-6-14(7-9-15)18(23)21-12-13-5-10-17(26-4)16(20)11-13/h5-11,22H,12H2,1-4H3,(H,21,23)
InChIKeyPHESXHGHPFICEO-UHFFFAOYSA-N
XLogP3.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278
4-(tert-butylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588840
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 31610027
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1179288
3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17074018

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide (CID 60621590) is N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide is COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide?
The InChIKey is PHESXHGHPFICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-19(2,3)22-27(24,25)15-8-6-14(7-9-15)18(23)21-12-13-5-10-17(26-4)16(20)11-13/h5-11,22H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide?
N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide has a molecular weight of 455.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide is sourced from PubChem (CID 60621590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).