N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide

C15H14ClN3O2S — CID 880444

IUPACN-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10-2-5-12(6-3-10)21-9-14(20)19-15(22)18-13-7-4-11(16)8-17-13/h2-8H,9H2,1H3,(H2,17,18,19,20,22)
InChIKeyPLYXURQNISEGOO-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.94
Rot. Bonds4

About N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide

N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide (PubChem CID 880444) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide
PubChem CID880444
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10-2-5-12(6-3-10)21-9-14(20)19-15(22)18-13-7-4-11(16)8-17-13/h2-8H,9H2,1H3,(H2,17,18,19,20,22)
InChIKeyPLYXURQNISEGOO-UHFFFAOYSA-N
XLogP2.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
2-(4-methylphenoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 4634338
3,5-dichloro-2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 3288762
N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 6457327
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590310
N-(5-amino-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 82330844
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
methyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 1344218
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
2,4-dichloro-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3509342

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide (CID 880444) is N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is PLYXURQNISEGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10-2-5-12(6-3-10)21-9-14(20)19-15(22)18-13-7-4-11(16)8-17-13/h2-8H,9H2,1H3,(H2,17,18,19,20,22).
What are the key properties of N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide?
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 335.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)carbamothioyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 880444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).