N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C16H12F2N2O4S2 — CID 55542121

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H12F2N2O4S2/c17-16(18)26(22,23)13-6-2-1-4-11(13)20-14(21)8-10-9-25-15(19-10)12-5-3-7-24-12/h1-7,9,16H,8H2,(H,20,21)
InChIKeyNVRQZMUHNRDLQK-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55542121) has the molecular formula C16H12F2N2O4S2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55542121
Molecular FormulaC16H12F2N2O4S2
Molecular Weight398.41 g/mol
Exact Mass398.02
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C16H12F2N2O4S2/c17-16(18)26(22,23)13-6-2-1-4-11(13)20-14(21)8-10-9-25-15(19-10)12-5-3-7-24-12/h1-7,9,16H,8H2,(H,20,21)
InChIKeyNVRQZMUHNRDLQK-UHFFFAOYSA-N
XLogP3.58
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55388333
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43066815
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46635996
N-(2,4-dibromophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24663211
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-[2,4-di(propan-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46436542
N-cyclopentyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24664133
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
N-(1,3-benzothiazol-2-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31766308
methyl 2,4-difluoro-5-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24666831

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 55542121) is N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NVRQZMUHNRDLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4S2/c17-16(18)26(22,23)13-6-2-1-4-11(13)20-14(21)8-10-9-25-15(19-10)12-5-3-7-24-12/h1-7,9,16H,8H2,(H,20,21).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55542121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).