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

C18H15N3O2S2 — CID 2642676

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H15N3O2S2/c22-16-10-11-19-18(21-16)24-12-17(23)20-14-8-4-5-9-15(14)25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)(H,19,21,22)
InChIKeyXYPYBQRAUKAWNI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.65
Rot. Bonds6

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

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2642676) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2642676
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H15N3O2S2/c22-16-10-11-19-18(21-16)24-12-17(23)20-14-8-4-5-9-15(14)25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)(H,19,21,22)
InChIKeyXYPYBQRAUKAWNI-UHFFFAOYSA-N
XLogP3.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-oxo-1,3-thiazol-2-yl)phenothiazine-10-carboxamide
CID 135449225
2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 2137143
N-(2-chlorophenyl)-2-{[6-oxo-5-(phenylsulfonyl)-1,6-dihydropyrimidin-2-yl]thio}acetamide
CID 6619944
2-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266705
2-(2-imino-1,3-thiazol-3-yl)-N-(2-phenylsulfanylphenyl)acetamide;hydrochloride
CID 16195858
2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-N-phenylacetamide
CID 20961886
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 135452296
N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
CID 135399084
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 135519923
2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1129344
3-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3255946
2-({5-[(4-Methylphenyl)sulfonyl]-6-oxo-1,6-dihydro-2-pyrimidinyl}sulfanyl)-N-phenylpropanamide
CID 16010499

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (CID 2642676) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is XYPYBQRAUKAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-16-10-11-19-18(21-16)24-12-17(23)20-14-8-4-5-9-15(14)25-13-6-2-1-3-7-13/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-(2-phenylsulfanylphenyl)acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.65, 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-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2642676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).