N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C20H20F3N3O3S — CID 163380299

IUPACN-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)NC3CCNCC3(F)F)c(C)oc2cc1F
InChIInChI=1S/C20H20F3N3O3S/c1-10-16(30-9-25-10)7-28-15-5-12-14(6-13(15)21)29-11(2)18(12)19(27)26-17-3-4-24-8-20(17,22)23/h5-6,9,17,24H,3-4,7-8H2,1-2H3,(H,26,27)
InChIKeyNSKBXQXFYNNFTK-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.95
Rot. Bonds5

About N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380299) has the molecular formula C20H20F3N3O3S and a molecular weight of 439.46 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380299
Molecular FormulaC20H20F3N3O3S
Molecular Weight439.46 g/mol
Exact Mass439.12
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)NC3CCNCC3(F)F)c(C)oc2cc1F
InChIInChI=1S/C20H20F3N3O3S/c1-10-16(30-9-25-10)7-28-15-5-12-14(6-13(15)21)29-11(2)18(12)19(27)26-17-3-4-24-8-20(17,22)23/h5-6,9,17,24H,3-4,7-8H2,1-2H3,(H,26,27)
InChIKeyNSKBXQXFYNNFTK-UHFFFAOYSA-N
XLogP3.95
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380440
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380334
5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide
CID 163380717
N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 163380826
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061
N-[1-(hydroxymethyl)cyclohexyl]-6-isocyano-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 176610678
2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(5-oxo-1,4-oxazepan-6-yl)-1-benzofuran-3-carboxamide
CID 163380921
N-(3,3-difluoropiperidin-4-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzothiophene-3-carboxamide
CID 170599544
7-fluoro-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380642
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide
CID 170599696
4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480467

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380299) is N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncsc1COc1cc2c(C(=O)NC3CCNCC3(F)F)c(C)oc2cc1F.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is NSKBXQXFYNNFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S/c1-10-16(30-9-25-10)7-28-15-5-12-14(6-13(15)21)29-11(2)18(12)19(27)26-17-3-4-24-8-20(17,22)23/h5-6,9,17,24H,3-4,7-8H2,1-2H3,(H,26,27).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).