N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide

C18H14F3NO3S — CID 119101115

IUPACN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccsc1)c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)13-4-1-3-12(9-13)16(23)22-11-17(24,14-6-8-26-10-14)15-5-2-7-25-15/h1-10,24H,11H2,(H,22,23)
InChIKeyCDUNGVIUGHIDJZ-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide

N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 119101115) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
PubChem CID119101115
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC NameN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccsc1)c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)13-4-1-3-12(9-13)16(23)22-11-17(24,14-6-8-26-10-14)15-5-2-7-25-15/h1-10,24H,11H2,(H,22,23)
InChIKeyCDUNGVIUGHIDJZ-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
CID 129354528
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N'-(2,5-difluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124760719

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide (CID 119101115) is N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide is O=C(NCC(O)(c1ccsc1)c1ccco1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CDUNGVIUGHIDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c19-18(20,21)13-4-1-3-12(9-13)16(23)22-11-17(24,14-6-8-26-10-14)15-5-2-7-25-15/h1-10,24H,11H2,(H,22,23).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 381.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119101115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).