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

C22H24FN3O5S — CID 69193209

IUPAC2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)N)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(F)c2)c1
InChIInChI=1S/C22H24FN3O5S/c1-13-5-10-20(31-13)16-8-7-15(12-17(16)23)32(28,29)26-19-11-14(30-4)6-9-18(19)25-21(27)22(2,3)24/h5-12,26H,24H2,1-4H3,(H,25,27)
InChIKeyIWJZCMFBQKLVKV-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.88
Rot. Bonds7

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

2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide (PubChem CID 69193209) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide
PubChem CID69193209
Molecular FormulaC22H24FN3O5S
Molecular Weight461.52 g/mol
Exact Mass461.14
IUPAC Name2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)N)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(F)c2)c1
InChIInChI=1S/C22H24FN3O5S/c1-13-5-10-20(31-13)16-8-7-15(12-17(16)23)32(28,29)26-19-11-14(30-4)6-9-18(19)25-21(27)22(2,3)24/h5-12,26H,24H2,1-4H3,(H,25,27)
InChIKeyIWJZCMFBQKLVKV-UHFFFAOYSA-N
XLogP3.88
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide (CID 69193209) is 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)N)c(NS(=O)(=O)c2ccc(-c3ccc(C)o3)c(F)c2)c1.
What is the InChIKey of 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide?
The InChIKey is IWJZCMFBQKLVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S/c1-13-5-10-20(31-13)16-8-7-15(12-17(16)23)32(28,29)26-19-11-14(30-4)6-9-18(19)25-21(27)22(2,3)24/h5-12,26H,24H2,1-4H3,(H,25,27).
What are the key properties of 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide?
2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide has a molecular weight of 461.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylamino]-4-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 69193209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).