N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

C15H15N3O2S — CID 63172560

IUPACN-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccn(CC(=O)Nc2ccc(C(N)=S)cc2)c1=O
InChIInChI=1S/C15H15N3O2S/c1-10-3-2-8-18(15(10)20)9-13(19)17-12-6-4-11(5-7-12)14(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,17,19)
InChIKeyQXEICXIVFLFKCS-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.43
Rot. Bonds4

About N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 63172560) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID63172560
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccn(CC(=O)Nc2ccc(C(N)=S)cc2)c1=O
InChIInChI=1S/C15H15N3O2S/c1-10-3-2-8-18(15(10)20)9-13(19)17-12-6-4-11(5-7-12)14(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,17,19)
InChIKeyQXEICXIVFLFKCS-UHFFFAOYSA-N
XLogP1.43
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.43
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-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
N-(2-amino-4-chlorophenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172766
N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962868
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
N-(5-amino-2-methoxyphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172234
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-carbamothioylphenyl)acetamide
CID 62128720
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
ethyl 4-[[2-(2-formylpyrrol-1-yl)acetyl]amino]benzoate
CID 71683659
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (CID 63172560) is N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is Cc1cccn(CC(=O)Nc2ccc(C(N)=S)cc2)c1=O.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is QXEICXIVFLFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-3-2-8-18(15(10)20)9-13(19)17-12-6-4-11(5-7-12)14(16)21/h2-8H,9H2,1H3,(H2,16,21)(H,17,19).
What are the key properties of N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 301.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 63172560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).