N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

C19H23BrN2O4S — CID 100795411

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23BrN2O4S/c1-6-13-10-15(20)9-12(2)18(13)21-19(23)14-7-8-16(26-5)17(11-14)27(24,25)22(3)4/h7-11H,6H2,1-5H3,(H,21,23)
InChIKeyBQLZHVHEQQXRDU-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.83
Rot. Bonds6

About N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 100795411) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID100795411
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23BrN2O4S/c1-6-13-10-15(20)9-12(2)18(13)21-19(23)14-7-8-16(26-5)17(11-14)27(24,25)22(3)4/h7-11H,6H2,1-5H3,(H,21,23)
InChIKeyBQLZHVHEQQXRDU-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796931
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
3-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 110295898
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 100795411) is N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is CCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is BQLZHVHEQQXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-6-13-10-15(20)9-12(2)18(13)21-19(23)14-7-8-16(26-5)17(11-14)27(24,25)22(3)4/h7-11H,6H2,1-5H3,(H,21,23).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 455.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 100795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).