N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

C18H19N3O3S — CID 71898976

IUPACN-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccc(O)cc1
InChIInChI=1S/C18H19N3O3S/c22-15-6-4-14(5-7-15)20-16(23)12-25-17-8-3-13(11-19-17)18(24)21-9-1-2-10-21/h3-8,11,22H,1-2,9-10,12H2,(H,20,23)
InChIKeyUITXIAFNMPJJAV-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.75
Rot. Bonds5

About N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 71898976) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID71898976
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccc(O)cc1
InChIInChI=1S/C18H19N3O3S/c22-15-6-4-14(5-7-15)20-16(23)12-25-17-8-3-13(11-19-17)18(24)21-9-1-2-10-21/h3-8,11,22H,1-2,9-10,12H2,(H,20,23)
InChIKeyUITXIAFNMPJJAV-UHFFFAOYSA-N
XLogP2.75
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 25343449
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 55534910
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
N-[4-[(2S)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]butanamide
CID 51935162
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 32941899
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55531842
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 55535112
[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 38081740
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
2,2-dimethyl-N-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]propanamide
CID 55578497
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (CID 71898976) is N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(=O)N2CCCC2)cn1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is UITXIAFNMPJJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-15-6-4-14(5-7-15)20-16(23)12-25-17-8-3-13(11-19-17)18(24)21-9-1-2-10-21/h3-8,11,22H,1-2,9-10,12H2,(H,20,23).
What are the key properties of N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 71898976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).