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

C18H15N3O3S — CID 1299166

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H15N3O3S/c22-16-10-11-19-18(21-16)25-12-17(23)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,19,21,22)
InChIKeyDFKSGVZOGHFZKY-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.29
Rot. Bonds6

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

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 1299166) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
PubChem CID1299166
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H15N3O3S/c22-16-10-11-19-18(21-16)25-12-17(23)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,19,21,22)
InChIKeyDFKSGVZOGHFZKY-UHFFFAOYSA-N
XLogP3.29
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)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-ethoxyphenyl)-2-((5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)acetamide
CID 135511550
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide hydrochloride
CID 16194805
N-(4-Ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
N-[4-(4-chlorophenoxy)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135410963
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860074
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-[(2E)-2-[(4-Ethoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-YL]-N-phenylacetamide
CID 135472706
3-(4-ethoxyphenyl)-2-(isopropylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756751
2-(Ethylimino)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1285995
N-(4-ethoxyphenyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2155116
2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide
CID 2155300

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (CID 1299166) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is DFKSGVZOGHFZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-16-10-11-19-18(21-16)25-12-17(23)20-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-11H,12H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 1299166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).