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

C19H19NO3S — CID 124892781

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c1
InChIInChI=1S/C19H19NO3S/c1-13-5-6-14(2)16(10-13)18(21)20-12-19(22,15-7-8-23-11-15)17-4-3-9-24-17/h3-11,22H,12H2,1-2H3,(H,20,21)/t19-/m1/s1
InChIKeyWOOUXBUKMRMTSP-LJQANCHMSA-N
MW341.43 g/mol
LogP3.62
Rot. Bonds5

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

N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide (PubChem CID 124892781) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
PubChem CID124892781
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c1
InChIInChI=1S/C19H19NO3S/c1-13-5-6-14(2)16(10-13)18(21)20-12-19(22,15-7-8-23-11-15)17-4-3-9-24-17/h3-11,22H,12H2,1-2H3,(H,20,21)/t19-/m1/s1
InChIKeyWOOUXBUKMRMTSP-LJQANCHMSA-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

2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 129417175
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417009
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121018452
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide (CID 124892781) is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide?
The InChIKey is WOOUXBUKMRMTSP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-13-5-6-14(2)16(10-13)18(21)20-12-19(22,15-7-8-23-11-15)17-4-3-9-24-17/h3-11,22H,12H2,1-2H3,(H,20,21)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide?
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-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-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 124892781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).