N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide

C15H19NO2S — CID 54911180

IUPACN-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(O)cc1)C1=CCCC1
InChIInChI=1S/C15H19NO2S/c1-2-16(12-5-3-4-6-12)15(18)11-19-14-9-7-13(17)8-10-14/h5,7-10,17H,2-4,6,11H2,1H3
InChIKeyGIKISBRTLOJYHZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.40
Rot. Bonds5

About N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide

N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 54911180) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID54911180
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(O)cc1)C1=CCCC1
InChIInChI=1S/C15H19NO2S/c1-2-16(12-5-3-4-6-12)15(18)11-19-14-9-7-13(17)8-10-14/h5,7-10,17H,2-4,6,11H2,1H3
InChIKeyGIKISBRTLOJYHZ-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide (CID 54911180) is N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide is CCN(C(=O)CSc1ccc(O)cc1)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is GIKISBRTLOJYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-16(12-5-3-4-6-12)15(18)11-19-14-9-7-13(17)8-10-14/h5,7-10,17H,2-4,6,11H2,1H3.
What are the key properties of N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 277.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 54911180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).