N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C17H18BrNO4S — CID 3360808

IUPACN-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H18BrNO4S/c1-12-11-13(18)3-8-16(12)19-17(20)9-10-24(21,22)15-6-4-14(23-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyVLDICHWFAROBTC-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.57
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 3360808) has the molecular formula C17H18BrNO4S and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID3360808
Molecular FormulaC17H18BrNO4S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H18BrNO4S/c1-12-11-13(18)3-8-16(12)19-17(20)9-10-24(21,22)15-6-4-14(23-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyVLDICHWFAROBTC-UHFFFAOYSA-N
XLogP3.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101952
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586245
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
methyl 4-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-methylbenzoate
CID 38090367
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)propylcarbamoylamino]acetamide
CID 55912206

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 3360808) is N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is VLDICHWFAROBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S/c1-12-11-13(18)3-8-16(12)19-17(20)9-10-24(21,22)15-6-4-14(23-2)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 412.31 g/mol, XLogP of 3.57, 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-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 3360808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).