N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide

C17H18ClN3OS — CID 56805855

IUPACN-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide
SMILESO=C(CN1CCSCC1c1ccccc1)Nc1cccnc1Cl
InChIInChI=1S/C17H18ClN3OS/c18-17-14(7-4-8-19-17)20-16(22)11-21-9-10-23-12-15(21)13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,20,22)
InChIKeyCILBQLBZAVCKCG-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.46
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide (PubChem CID 56805855) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide
PubChem CID56805855
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide
SMILESO=C(CN1CCSCC1c1ccccc1)Nc1cccnc1Cl
InChIInChI=1S/C17H18ClN3OS/c18-17-14(7-4-8-19-17)20-16(22)11-21-9-10-23-12-15(21)13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,20,22)
InChIKeyCILBQLBZAVCKCG-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 95145263
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95163655
N-(2-chloro-3-pyridinyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8710481
2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide
CID 139001832
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117
4-[2-(2-fluoroanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82909111
N-(2-chloro-3-pyridinyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681343
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 103353022
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide (CID 56805855) is N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide is O=C(CN1CCSCC1c1ccccc1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide?
The InChIKey is CILBQLBZAVCKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c18-17-14(7-4-8-19-17)20-16(22)11-21-9-10-23-12-15(21)13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,20,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide has a molecular weight of 347.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide is sourced from PubChem (CID 56805855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).