N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide

C19H19NO3S — CID 121018387

IUPACN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(O)(c2ccsc2)c2ccco2)c1
InChIInChI=1S/C19H19NO3S/c1-13-5-6-14(2)16(10-13)18(21)20-12-19(22,15-7-9-24-11-15)17-4-3-8-23-17/h3-11,22H,12H2,1-2H3,(H,20,21)
InChIKeyLKUSXXUHKRAGDG-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide

N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide (PubChem CID 121018387) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
PubChem CID121018387
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(O)(c2ccsc2)c2ccco2)c1
InChIInChI=1S/C19H19NO3S/c1-13-5-6-14(2)16(10-13)18(21)20-12-19(22,15-7-9-24-11-15)17-4-3-8-23-17/h3-11,22H,12H2,1-2H3,(H,20,21)
InChIKeyLKUSXXUHKRAGDG-UHFFFAOYSA-N
XLogP3.62
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 124761482
3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124891742
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide (CID 121018387) is N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(O)(c2ccsc2)c2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide?
The InChIKey is LKUSXXUHKRAGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-13-5-6-14(2)16(10-13)18(21)20-12-19(22,15-7-9-24-11-15)17-4-3-8-23-17/h3-11,22H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide?
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 3.62, 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]-2,5-dimethylbenzamide is sourced from PubChem (CID 121018387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).