N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C19H21FN2O3S — CID 163380146

IUPACN-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NCC(C)(C)F)c3c2)s1
InChIInChI=1S/C19H21FN2O3S/c1-11-17(18(23)22-10-19(3,4)20)15-7-13(5-6-16(15)25-11)24-9-14-8-21-12(2)26-14/h5-8H,9-10H2,1-4H3,(H,22,23)
InChIKeyLDHIOXKOPXOFRK-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.56
Rot. Bonds6

About N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380146) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380146
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NCC(C)(C)F)c3c2)s1
InChIInChI=1S/C19H21FN2O3S/c1-11-17(18(23)22-10-19(3,4)20)15-7-13(5-6-16(15)25-11)24-9-14-8-21-12(2)26-14/h5-8H,9-10H2,1-4H3,(H,22,23)
InChIKeyLDHIOXKOPXOFRK-UHFFFAOYSA-N
XLogP4.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380146) is N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NCC(C)(C)F)c3c2)s1.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is LDHIOXKOPXOFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-11-17(18(23)22-10-19(3,4)20)15-7-13(5-6-16(15)25-11)24-9-14-8-21-12(2)26-14/h5-8H,9-10H2,1-4H3,(H,22,23).
What are the key properties of N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).