2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid

C15H16N2O5S — CID 146131927

IUPAC2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
SMILESCOc1cncc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C15H16N2O5S/c1-22-13-7-14(9-16-8-13)23(20,21)17(11-15(18)19)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCWMNBLUEFIJXIO-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.37
Rot. Bonds7

About 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid

2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid (PubChem CID 146131927) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
PubChem CID146131927
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
SMILESCOc1cncc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C15H16N2O5S/c1-22-13-7-14(9-16-8-13)23(20,21)17(11-15(18)19)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCWMNBLUEFIJXIO-UHFFFAOYSA-N
XLogP1.37
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-methyl-N-phenylacetamide
CID 42111354
2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]-N-phenylacetamide
CID 42111350
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2128925
2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-pyridin-3-ylsulfonylamino]acetamide
CID 42111351
4-[(5-methoxy-3-pyridinyl)sulfonyl-methylamino]benzoic acid
CID 154746143
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100791352
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid (CID 146131927) is 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid is COc1cncc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The InChIKey is CWMNBLUEFIJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-22-13-7-14(9-16-8-13)23(20,21)17(11-15(18)19)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid has a molecular weight of 336.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(5-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 146131927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).