N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C21H21F2N3O5S2 — CID 55633440

IUPACN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H21F2N3O5S2/c1-13-18(14-5-7-15(8-6-14)30-20(22)23)24-21(32-13)25-19(27)16-9-10-17(31-16)33(28,29)26-11-3-2-4-12-26/h5-10,20H,2-4,11-12H2,1H3,(H,24,25,27)
InChIKeyJUKNABFQXCJXSI-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.74
Rot. Bonds7

About N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55633440) has the molecular formula C21H21F2N3O5S2 and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55633440
Molecular FormulaC21H21F2N3O5S2
Molecular Weight497.55 g/mol
Exact Mass497.09
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H21F2N3O5S2/c1-13-18(14-5-7-15(8-6-14)30-20(22)23)24-21(32-13)25-19(27)16-9-10-17(31-16)33(28,29)26-11-3-2-4-12-26/h5-10,20H,2-4,11-12H2,1H3,(H,24,25,27)
InChIKeyJUKNABFQXCJXSI-UHFFFAOYSA-N
XLogP4.74
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553886
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 75468978
5-chloro-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 36809605
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119693574
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597005
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55634612
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 119273428
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylsulfonylbenzamide
CID 55623938
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 35540458
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31122981
(2S,4S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120618742
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630222

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55633440) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is JUKNABFQXCJXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O5S2/c1-13-18(14-5-7-15(8-6-14)30-20(22)23)24-21(32-13)25-19(27)16-9-10-17(31-16)33(28,29)26-11-3-2-4-12-26/h5-10,20H,2-4,11-12H2,1H3,(H,24,25,27).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55633440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).