2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide

C17H18BrNO5S — CID 22943507

IUPAC2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide
SMILESCOc1ccc(CONC(=O)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO5S/c1-12(25(21,22)16-9-5-14(18)6-10-16)17(20)19-24-11-13-3-7-15(23-2)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyJAOFBQGPKGNYPD-UHFFFAOYSA-N
MW428.30 g/mol
LogP2.87
Rot. Bonds7

About 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide

2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide (PubChem CID 22943507) has the molecular formula C17H18BrNO5S and a molecular weight of 428.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide
PubChem CID22943507
Molecular FormulaC17H18BrNO5S
Molecular Weight428.30 g/mol
Exact Mass427.01
IUPAC Name2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide
SMILESCOc1ccc(CONC(=O)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO5S/c1-12(25(21,22)16-9-5-14(18)6-10-16)17(20)19-24-11-13-3-7-15(23-2)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyJAOFBQGPKGNYPD-UHFFFAOYSA-N
XLogP2.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[3-[(4-methoxyphenyl)methoxyamino]-2-methyl-3-oxopropyl]phenyl] methanesulfonate
CID 22943532
(4-methoxyphenyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 16578703
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
CID 57196287
2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 42962647
4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
(2R)-N-[(4-methoxyphenyl)methoxy]-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 22859998
2-(4-bromophenyl)sulfonylpentan-3-one
CID 64866533
1-bromo-4-(4-bromophenyl)-3-(4-methoxyphenyl)butan-2-one
CID 86650847
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide (CID 22943507) is 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide is COc1ccc(CONC(=O)C(C)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide?
The InChIKey is JAOFBQGPKGNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO5S/c1-12(25(21,22)16-9-5-14(18)6-10-16)17(20)19-24-11-13-3-7-15(23-2)8-4-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide?
2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide has a molecular weight of 428.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 22943507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).