N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C18H21BrN2O3S — CID 24639564

IUPACN-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H21BrN2O3S/c1-12-4-5-13(2)17(10-12)25(23,24)20-9-8-18(22)21-15-6-7-16(19)14(3)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyGTBZNCPYVVHCCI-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.68
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 24639564) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID24639564
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H21BrN2O3S/c1-12-4-5-13(2)17(10-12)25(23,24)20-9-8-18(22)21-15-6-7-16(19)14(3)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyGTBZNCPYVVHCCI-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 26086022
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 24636271
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-bromo-3-methylphenyl)propanamide
CID 4253315
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134017400
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557708

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 24639564) is N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is GTBZNCPYVVHCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-12-4-5-13(2)17(10-12)25(23,24)20-9-8-18(22)21-15-6-7-16(19)14(3)11-15/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 425.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24639564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).