N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide

C16H19NO2S2 — CID 71787826

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCC(O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c18-14(15-7-4-11-21-15)8-10-17-16(19)9-12-20-13-5-2-1-3-6-13/h1-7,11,14,18H,8-10,12H2,(H,17,19)
InChIKeyDYPRYOKKPMMJTD-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.47
Rot. Bonds8

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide (PubChem CID 71787826) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide
PubChem CID71787826
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCC(O)c1cccs1
InChIInChI=1S/C16H19NO2S2/c18-14(15-7-4-11-21-15)8-10-17-16(19)9-12-20-13-5-2-1-3-6-13/h1-7,11,14,18H,8-10,12H2,(H,17,19)
InChIKeyDYPRYOKKPMMJTD-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.47
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-2-ylpropyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide (CID 71787826) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCC(O)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide?
The InChIKey is DYPRYOKKPMMJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c18-14(15-7-4-11-21-15)8-10-17-16(19)9-12-20-13-5-2-1-3-6-13/h1-7,11,14,18H,8-10,12H2,(H,17,19).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-phenylsulfanylpropanamide has a molecular weight of 321.47 g/mol, XLogP of 3.47, 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-2-ylpropyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71787826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).