2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C21H23N3O6S — CID 87050649

IUPAC2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(C)o3)c2=O)cc1
InChIInChI=1S/C21H23N3O6S/c1-14-4-11-19(23-31(27,28)18-9-7-16(29-3)8-10-18)21(26)24(14)13-20(25)22-12-17-6-5-15(2)30-17/h4-11,23H,12-13H2,1-3H3,(H,22,25)
InChIKeyAUMOFOMRLGHSBP-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.18
Rot. Bonds8

About 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 87050649) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID87050649
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(C)o3)c2=O)cc1
InChIInChI=1S/C21H23N3O6S/c1-14-4-11-19(23-31(27,28)18-9-7-16(29-3)8-10-18)21(26)24(14)13-20(25)22-12-17-6-5-15(2)30-17/h4-11,23H,12-13H2,1-3H3,(H,22,25)
InChIKeyAUMOFOMRLGHSBP-UHFFFAOYSA-N
XLogP2.18
TPSA119.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 87050649) is 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(C)o3)c2=O)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is AUMOFOMRLGHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-14-4-11-19(23-31(27,28)18-9-7-16(29-3)8-10-18)21(26)24(14)13-20(25)22-12-17-6-5-15(2)30-17/h4-11,23H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 87050649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).