2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide

C21H23FN4O5S — CID 24759959

IUPAC2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)N)nc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1
InChIInChI=1S/C21H23FN4O5S/c1-12-5-8-16(31-12)14-7-6-13(11-15(14)22)32(28,29)26-19-17(30-4)9-10-18(24-19)25-20(27)21(2,3)23/h5-11H,23H2,1-4H3,(H2,24,25,26,27)
InChIKeyNQHMPKLCKGWFDW-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.27
Rot. Bonds7

About 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide

2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide (PubChem CID 24759959) has the molecular formula C21H23FN4O5S and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide
PubChem CID24759959
Molecular FormulaC21H23FN4O5S
Molecular Weight462.50 g/mol
Exact Mass462.14
IUPAC Name2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)N)nc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1
InChIInChI=1S/C21H23FN4O5S/c1-12-5-8-16(31-12)14-7-6-13(11-15(14)22)32(28,29)26-19-17(30-4)9-10-18(24-19)25-20(27)21(2,3)23/h5-11H,23H2,1-4H3,(H2,24,25,26,27)
InChIKeyNQHMPKLCKGWFDW-UHFFFAOYSA-N
XLogP3.27
TPSA136.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide (CID 24759959) is 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)N)nc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1.
What is the InChIKey of 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide?
The InChIKey is NQHMPKLCKGWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O5S/c1-12-5-8-16(31-12)14-7-6-13(11-15(14)22)32(28,29)26-19-17(30-4)9-10-18(24-19)25-20(27)21(2,3)23/h5-11H,23H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide?
2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide has a molecular weight of 462.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-5-methoxy-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 24759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).