N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide

C18H21BrN2O3S — CID 100796184

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-3-14-11-15(19)10-12(2)18(14)21-17(22)9-6-13-4-7-16(8-5-13)25(20,23)24/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyOKJXKILZENAQQT-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.54
Rot. Bonds6

About N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide

N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 100796184) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide
PubChem CID100796184
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-3-14-11-15(19)10-12(2)18(14)21-17(22)9-6-13-4-7-16(8-5-13)25(20,23)24/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyOKJXKILZENAQQT-UHFFFAOYSA-N
XLogP3.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(2,6-dimethylquinolin-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 46979780
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 112835584
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100799620
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141287
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide
CID 100800911
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 100797673
N-(4-bromo-2,6-dimethylphenyl)-3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
CID 100796296
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide (CID 100796184) is N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide is CCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is OKJXKILZENAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-3-14-11-15(19)10-12(2)18(14)21-17(22)9-6-13-4-7-16(8-5-13)25(20,23)24/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 425.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 100796184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).