2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid

C15H17N3O5S — CID 4713847

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid
SMILESCOc1cc(C)nc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H17N3O5S/c1-10-4-6-12(7-5-10)24(21,22)18(9-14(19)20)15-16-11(2)8-13(17-15)23-3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyCCOLKSCVDOOWIY-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.38
Rot. Bonds6

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid

2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid (PubChem CID 4713847) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid
PubChem CID4713847
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid
SMILESCOc1cc(C)nc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H17N3O5S/c1-10-4-6-12(7-5-10)24(21,22)18(9-14(19)20)15-16-11(2)8-13(17-15)23-3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyCCOLKSCVDOOWIY-UHFFFAOYSA-N
XLogP1.38
TPSA109.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
CID 100544131
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
CID 28590060
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005
3-[2,5-bis[carboxymethyl-(4-methylphenyl)sulfonylamino]phenyl]propanoic acid
CID 177380835
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
2-[2-[ethyl-(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983647
2-(4-methoxy-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100525847

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid (CID 4713847) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid is COc1cc(C)nc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is CCOLKSCVDOOWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-10-4-6-12(7-5-10)24(21,22)18(9-14(19)20)15-16-11(2)8-13(17-15)23-3/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid?
2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 351.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)-(4-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 4713847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).