2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide

C18H15N5O3S — CID 141358912

IUPAC2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NC(=O)Nc1ccccn1
InChIInChI=1S/C18H15N5O3S/c24-15-10-13(12-6-2-1-3-7-12)20-18(23-15)27-11-16(25)22-17(26)21-14-8-4-5-9-19-14/h1-10H,11H2,(H,20,23,24)(H2,19,21,22,25,26)
InChIKeyDTMDSKHOJFAVOV-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.27
Rot. Bonds5

About 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide

2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide (PubChem CID 141358912) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
PubChem CID141358912
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NC(=O)Nc1ccccn1
InChIInChI=1S/C18H15N5O3S/c24-15-10-13(12-6-2-1-3-7-12)20-18(23-15)27-11-16(25)22-17(26)21-14-8-4-5-9-19-14/h1-10H,11H2,(H,20,23,24)(H2,19,21,22,25,26)
InChIKeyDTMDSKHOJFAVOV-UHFFFAOYSA-N
XLogP2.27
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552414
2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 135448826
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 40560476
methyl 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135561455
4-[[2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135665626
N-(3-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435927
N-(4-acetylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135496922
N-(2,3-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435482
N-(5-chloro-2-hydroxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552420
N-(3-fluoro-4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135963869
N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135403338
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135413660

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide (CID 141358912) is 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide is O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NC(=O)Nc1ccccn1.
What is the InChIKey of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide?
The InChIKey is DTMDSKHOJFAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c24-15-10-13(12-6-2-1-3-7-12)20-18(23-15)27-11-16(25)22-17(26)21-14-8-4-5-9-19-14/h1-10H,11H2,(H,20,23,24)(H2,19,21,22,25,26).
What are the key properties of 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide?
2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide has a molecular weight of 381.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(pyridin-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 141358912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).