2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid

C17H20N2O5S — CID 154745756

IUPAC2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cn2)cc1CC(=O)O
InChIInChI=1S/C17H20N2O5S/c1-12-4-5-14(18-10-12)11-19(2)25(22,23)15-6-7-16(24-3)13(8-15)9-17(20)21/h4-8,10H,9,11H2,1-3H3,(H,20,21)
InChIKeyAQSIAHNVASNLAG-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.85
Rot. Bonds7

About 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid

2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid (PubChem CID 154745756) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid
PubChem CID154745756
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cn2)cc1CC(=O)O
InChIInChI=1S/C17H20N2O5S/c1-12-4-5-14(18-10-12)11-19(2)25(22,23)15-6-7-16(24-3)13(8-15)9-17(20)21/h4-8,10H,9,11H2,1-3H3,(H,20,21)
InChIKeyAQSIAHNVASNLAG-UHFFFAOYSA-N
XLogP1.85
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetic acid
CID 16770686
2-[5-[(3,5-dimethylphenyl)-methylsulfamoyl]-2-methoxyphenyl]acetic acid
CID 75399783
3-[(2-methoxy-5-methylphenyl)methyl-methylsulfamoyl]propanoic acid
CID 43362202
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256
N-methoxy-N-[(5-methyl-2-pyridinyl)methyl]methanesulfonamide
CID 123705598
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
N-ethyl-2-methoxy-5-[methyl-[(4-methylphenyl)methyl]sulfamoyl]benzamide
CID 92683523
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
CID 136547951

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid (CID 154745756) is 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid is COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cn2)cc1CC(=O)O.
What is the InChIKey of 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is AQSIAHNVASNLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12-4-5-14(18-10-12)11-19(2)25(22,23)15-6-7-16(24-3)13(8-15)9-17(20)21/h4-8,10H,9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid?
2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 364.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[methyl-[(5-methyl-2-pyridinyl)methyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 154745756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).