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

C16H18N4O3S — CID 2224947

IUPACN-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H18N4O3S/c21-14-5-6-17-16(19-14)24-11-15(22)18-12-1-3-13(4-2-12)20-7-9-23-10-8-20/h1-6H,7-11H2,(H,18,22)(H,17,19,21)
InChIKeyLBIPSVYJYBMRMO-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.34
Rot. Bonds5

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

N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2224947) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2224947
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H18N4O3S/c21-14-5-6-17-16(19-14)24-11-15(22)18-12-1-3-13(4-2-12)20-7-9-23-10-8-20/h1-6H,7-11H2,(H,18,22)(H,17,19,21)
InChIKeyLBIPSVYJYBMRMO-UHFFFAOYSA-N
XLogP1.34
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2462014
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
N-(3-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3363635
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 6463168
5-keto-3,7-dimethyl-N-(4-morpholinophenyl)thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990080
2-((2-((4-acetamidophenyl)amino)-2-oxoethyl)thio)-1-methyl-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 18572132
2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 71600974
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 135423638
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 135471894
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 4330211
N-(2-fluorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 4818714

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 2224947) is N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is LBIPSVYJYBMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-14-5-6-17-16(19-14)24-11-15(22)18-12-1-3-13(4-2-12)20-7-9-23-10-8-20/h1-6H,7-11H2,(H,18,22)(H,17,19,21).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).