2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide

C16H17BrN2O5S — CID 166195849

IUPAC2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1S(N)(=O)=O
InChIInChI=1S/C16H17BrN2O5S/c1-24-14-5-2-10(6-15(14)25(18,22)23)9-19-16(21)7-11-3-4-12(17)8-13(11)20/h2-6,8,20H,7,9H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyUVRNACBHTWFMSG-UHFFFAOYSA-N
MW429.29 g/mol
LogP1.67
Rot. Bonds6

About 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide

2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide (PubChem CID 166195849) has the molecular formula C16H17BrN2O5S and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
PubChem CID166195849
Molecular FormulaC16H17BrN2O5S
Molecular Weight429.29 g/mol
Exact Mass428.00
IUPAC Name2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1S(N)(=O)=O
InChIInChI=1S/C16H17BrN2O5S/c1-24-14-5-2-10(6-15(14)25(18,22)23)9-19-16(21)7-11-3-4-12(17)8-13(11)20/h2-6,8,20H,7,9H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyUVRNACBHTWFMSG-UHFFFAOYSA-N
XLogP1.67
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[(4-methoxy-3-sulfamoylphenyl)methyl]oxolane-2-carboxamide
CID 43246848
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide (CID 166195849) is 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccc(Br)cc2O)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
The InChIKey is UVRNACBHTWFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5S/c1-24-14-5-2-10(6-15(14)25(18,22)23)9-19-16(21)7-11-3-4-12(17)8-13(11)20/h2-6,8,20H,7,9H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide?
2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide has a molecular weight of 429.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-hydroxyphenyl)-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 166195849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).