2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

C17H21NO3S2 — CID 91816644

IUPAC2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CSC1CCCC1)NCC(O)(c1ccco1)c1cccs1
InChIInChI=1S/C17H21NO3S2/c19-16(11-23-13-5-1-2-6-13)18-12-17(20,14-7-3-9-21-14)15-8-4-10-22-15/h3-4,7-10,13,20H,1-2,5-6,11-12H2,(H,18,19)
InChIKeyFTJQFCIOURPXJD-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.37
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (PubChem CID 91816644) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
PubChem CID91816644
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CSC1CCCC1)NCC(O)(c1ccco1)c1cccs1
InChIInChI=1S/C17H21NO3S2/c19-16(11-23-13-5-1-2-6-13)18-12-17(20,14-7-3-9-21-14)15-8-4-10-22-15/h3-4,7-10,13,20H,1-2,5-6,11-12H2,(H,18,19)
InChIKeyFTJQFCIOURPXJD-UHFFFAOYSA-N
XLogP3.37
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 97355222
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 100687429
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 100688861
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 129416791
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129416529
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (CID 91816644) is 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is O=C(CSC1CCCC1)NCC(O)(c1ccco1)c1cccs1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The InChIKey is FTJQFCIOURPXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c19-16(11-23-13-5-1-2-6-13)18-12-17(20,14-7-3-9-21-14)15-8-4-10-22-15/h3-4,7-10,13,20H,1-2,5-6,11-12H2,(H,18,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 91816644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).