N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide

C16H19NO3S2 — CID 78661847

IUPACN-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)COCc2cccs2)cc1
InChIInChI=1S/C16H19NO3S2/c1-12(18)17-13-4-6-15(7-5-13)22-11-14(19)9-20-10-16-3-2-8-21-16/h2-8,14,19H,9-11H2,1H3,(H,17,18)
InChIKeyZECRHMSDOQEXAR-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.38
Rot. Bonds8

About N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide

N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide (PubChem CID 78661847) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
PubChem CID78661847
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(O)COCc2cccs2)cc1
InChIInChI=1S/C16H19NO3S2/c1-12(18)17-13-4-6-15(7-5-13)22-11-14(19)9-20-10-16-3-2-8-21-16/h2-8,14,19H,9-11H2,1H3,(H,17,18)
InChIKeyZECRHMSDOQEXAR-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 107264071
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110879206
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 94813173
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110296604
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide (CID 78661847) is N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(O)COCc2cccs2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide?
The InChIKey is ZECRHMSDOQEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12(18)17-13-4-6-15(7-5-13)22-11-14(19)9-20-10-16-3-2-8-21-16/h2-8,14,19H,9-11H2,1H3,(H,17,18).
What are the key properties of N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide?
N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 78661847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).