N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

C18H23NO2S2 — CID 86264112

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C18H23NO2S2/c1-13(2)23-16-5-3-14(4-6-16)11-18(21)19-9-7-17(20)15-8-10-22-12-15/h3-6,8,10,12-13,17,20H,7,9,11H2,1-2H3,(H,19,21)
InChIKeyIETXVXSUEWMRBN-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.03
Rot. Bonds8

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 86264112) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID86264112
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C18H23NO2S2/c1-13(2)23-16-5-3-14(4-6-16)11-18(21)19-9-7-17(20)15-8-10-22-12-15/h3-6,8,10,12-13,17,20H,7,9,11H2,1-2H3,(H,19,21)
InChIKeyIETXVXSUEWMRBN-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 86264112) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NCCC(O)c2ccsc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is IETXVXSUEWMRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-13(2)23-16-5-3-14(4-6-16)11-18(21)19-9-7-17(20)15-8-10-22-12-15/h3-6,8,10,12-13,17,20H,7,9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 349.52 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 86264112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).