2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide

C14H20N2O2S — CID 119534534

IUPAC2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)NCCC1CCNC1
InChIInChI=1S/C14H20N2O2S/c17-12-1-3-13(4-2-12)19-10-14(18)16-8-6-11-5-7-15-9-11/h1-4,11,15,17H,5-10H2,(H,16,18)
InChIKeyIVZRTDTUZDAXAR-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.60
Rot. Bonds6

About 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119534534) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119534534
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(CSc1ccc(O)cc1)NCCC1CCNC1
InChIInChI=1S/C14H20N2O2S/c17-12-1-3-13(4-2-12)19-10-14(18)16-8-6-11-5-7-15-9-11/h1-4,11,15,17H,5-10H2,(H,16,18)
InChIKeyIVZRTDTUZDAXAR-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119558141
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533953
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 119555497
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
N-(3-aminopropyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 119405825
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556120
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556141
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119534534) is 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(CSc1ccc(O)cc1)NCCC1CCNC1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is IVZRTDTUZDAXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-12-1-3-13(4-2-12)19-10-14(18)16-8-6-11-5-7-15-9-11/h1-4,11,15,17H,5-10H2,(H,16,18).
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119534534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).