N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C18H21BrN2O4S — CID 2899883

IUPACN-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-12-11-14(5-10-17(12)19)20-18(22)13(2)21(26(4,23)24)15-6-8-16(25-3)9-7-15/h5-11,13H,1-4H3,(H,20,22)
InChIKeyBMYRUZFFHKOOHL-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.56
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 2899883) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID2899883
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-12-11-14(5-10-17(12)19)20-18(22)13(2)21(26(4,23)24)15-6-8-16(25-3)9-7-15/h5-11,13H,1-4H3,(H,20,22)
InChIKeyBMYRUZFFHKOOHL-UHFFFAOYSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1297089
(2R)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201
(2R)-N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2229739
(2S)-N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1100075
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126416687
(2R)-N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126329949
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 2899883) is N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(C(C)C(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is BMYRUZFFHKOOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-12-11-14(5-10-17(12)19)20-18(22)13(2)21(26(4,23)24)15-6-8-16(25-3)9-7-15/h5-11,13H,1-4H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 441.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2899883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).