2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

C19H19NO3S2 — CID 99873352

IUPAC2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccco2)s1
InChIInChI=1S/C19H19NO3S2/c1-2-24-16-8-4-3-6-14(16)19(22)20-12-13-9-10-17(25-13)18(21)15-7-5-11-23-15/h3-11,18,21H,2,12H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyWEGQYJUWPKHAHJ-GOSISDBHSA-N
MW373.50 g/mol
LogP4.46
Rot. Bonds7

About 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide

2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 99873352) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID99873352
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Name2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccco2)s1
InChIInChI=1S/C19H19NO3S2/c1-2-24-16-8-4-3-6-14(16)19(22)20-12-13-9-10-17(25-13)18(21)15-7-5-11-23-15/h3-11,18,21H,2,12H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyWEGQYJUWPKHAHJ-GOSISDBHSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide (CID 99873352) is 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide is CCSc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccco2)s1.
What is the InChIKey of 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is WEGQYJUWPKHAHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-2-24-16-8-4-3-6-14(16)19(22)20-12-13-9-10-17(25-13)18(21)15-7-5-11-23-15/h3-11,18,21H,2,12H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide?
2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 99873352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).