N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide

C19H23BrN2O4S — CID 55577278

IUPACN-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(Br)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H23BrN2O4S/c1-19(2,3)22-27(24,25)17-11-14(8-9-16(17)26-4)18(23)21-12-13-6-5-7-15(20)10-13/h5-11,22H,12H2,1-4H3,(H,21,23)
InChIKeyNZYJYFILRMVAIN-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.46
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide

N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide (PubChem CID 55577278) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
PubChem CID55577278
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(Br)c2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H23BrN2O4S/c1-19(2,3)22-27(24,25)17-11-14(8-9-16(17)26-4)18(23)21-12-13-6-5-7-15(20)10-13/h5-11,22H,12H2,1-4H3,(H,21,23)
InChIKeyNZYJYFILRMVAIN-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

3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 31610027
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901
N-[(3-bromo-4-methoxyphenyl)methyl]-4-(tert-butylsulfamoyl)benzamide
CID 60621590
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55975758
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 39731063
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
CID 60616288
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide (CID 55577278) is N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(Br)c2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide?
The InChIKey is NZYJYFILRMVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-19(2,3)22-27(24,25)17-11-14(8-9-16(17)26-4)18(23)21-12-13-6-5-7-15(20)10-13/h5-11,22H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide?
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide 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-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55577278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).