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

C19H19NO3S2 — CID 129416706

IUPAC2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
SMILESCCSc1ccccc1C(=O)NC[C@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C19H19NO3S2/c1-2-24-16-7-4-3-6-15(16)18(21)20-13-19(22,14-9-10-23-12-14)17-8-5-11-25-17/h3-12,22H,2,13H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyGJJPAAHVHZJJBF-IBGZPJMESA-N
MW373.50 g/mol
LogP4.12
Rot. Bonds7

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

2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide (PubChem CID 129416706) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
PubChem CID129416706
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Name2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
SMILESCCSc1ccccc1C(=O)NC[C@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C19H19NO3S2/c1-2-24-16-7-4-3-6-15(16)18(21)20-13-19(22,14-9-10-23-12-14)17-8-5-11-25-17/h3-12,22H,2,13H2,1H3,(H,20,21)/t19-/m0/s1
InChIKeyGJJPAAHVHZJJBF-IBGZPJMESA-N
XLogP4.12
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
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]-4-methylthiadiazole-5-carboxamide
CID 121018444
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
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-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 124892133

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide (CID 129416706) is 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide is CCSc1ccccc1C(=O)NC[C@](O)(c1ccoc1)c1cccs1.
What is the InChIKey of 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The InChIKey is GJJPAAHVHZJJBF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-2-24-16-7-4-3-6-15(16)18(21)20-13-19(22,14-9-10-23-12-14)17-8-5-11-25-17/h3-12,22H,2,13H2,1H3,(H,20,21)/t19-/m0/s1.
What are the key properties of 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 129416706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).