2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid

C26H25N3O7S — CID 25234279

IUPAC2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C(=O)O
InChIInChI=1S/C26H25N3O7S/c1-26(2,24(31)32)21-14-19(29-10-9-22(30)27-25(29)33)13-20(23(21)36-3)17-6-5-16-12-18(28-37(4,34)35)8-7-15(16)11-17/h5-14,28H,1-4H3,(H,31,32)(H,27,30,33)
InChIKeyMTNFZAKOJUMHNX-UHFFFAOYSA-N
MW523.57 g/mol
LogP3.09
Rot. Bonds7

About 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid

2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid (PubChem CID 25234279) has the molecular formula C26H25N3O7S and a molecular weight of 523.57 g/mol. Its IUPAC name is 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid
PubChem CID25234279
Molecular FormulaC26H25N3O7S
Molecular Weight523.57 g/mol
Exact Mass523.14
IUPAC Name2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C(=O)O
InChIInChI=1S/C26H25N3O7S/c1-26(2,24(31)32)21-14-19(29-10-9-22(30)27-25(29)33)13-20(23(21)36-3)17-6-5-16-12-18(28-37(4,34)35)8-7-15(16)11-17/h5-14,28H,1-4H3,(H,31,32)(H,27,30,33)
InChIKeyMTNFZAKOJUMHNX-UHFFFAOYSA-N
XLogP3.09
TPSA147.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.57
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid (CID 25234279) is 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid is COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C(=O)O.
What is the InChIKey of 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid?
The InChIKey is MTNFZAKOJUMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O7S/c1-26(2,24(31)32)21-14-19(29-10-9-22(30)27-25(29)33)13-20(23(21)36-3)17-6-5-16-12-18(28-37(4,34)35)8-7-15(16)11-17/h5-14,28H,1-4H3,(H,31,32)(H,27,30,33).
What are the key properties of 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid?
2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid has a molecular weight of 523.57 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dioxopyrimidin-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid is sourced from PubChem (CID 25234279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).