2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid

C14H15N3O5S — CID 126831241

IUPAC2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid
SMILESCn1cc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)COC3)cn1
InChIInChI=1S/C14H15N3O5S/c1-16-6-12(5-15-16)17(7-14(18)19)23(20,21)13-3-2-10-8-22-9-11(10)4-13/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeyYEILEBJFQUDZRA-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.73
Rot. Bonds5

About 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid

2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid (PubChem CID 126831241) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid
PubChem CID126831241
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid
SMILESCn1cc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)COC3)cn1
InChIInChI=1S/C14H15N3O5S/c1-16-6-12(5-15-16)17(7-14(18)19)23(20,21)13-3-2-10-8-22-9-11(10)4-13/h2-6H,7-9H2,1H3,(H,18,19)
InChIKeyYEILEBJFQUDZRA-UHFFFAOYSA-N
XLogP0.73
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetic acid
CID 59277451
2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 43361158
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 97157164
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240
2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 100504093
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
2-[4-[carboxymethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)sulfonyl-3-(2-morpholin-4-ylethoxy)anilino]acetic acid
CID 177380823
2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
CID 28590060
N-(2-hydroxyethyl)-4-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]benzenesulfonamide
CID 166121417
2-(3,5-dimethyl-N-pyridin-3-ylsulfonylanilino)acetic acid
CID 3590660
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid?
The IUPAC name of 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid (CID 126831241) is 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid?
The canonical SMILES for 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid is Cn1cc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)COC3)cn1.
What is the InChIKey of 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid?
The InChIKey is YEILEBJFQUDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-16-6-12(5-15-16)17(7-14(18)19)23(20,21)13-3-2-10-8-22-9-11(10)4-13/h2-6H,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid?
2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid has a molecular weight of 337.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dihydro-2-benzofuran-5-ylsulfonyl-(1-methylpyrazol-4-yl)amino]acetic acid is sourced from PubChem (CID 126831241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).