N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide

C14H13N3O4S — CID 739321

IUPACN-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H13N3O4S/c1-8(18)15-11-12(20)16-14(17-13(11)21)22-7-10(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,18)(H2,16,17,20,21)
InChIKeyYECRHFMKIFMKNB-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.41
Rot. Bonds5

About N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide

N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide (PubChem CID 739321) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide
PubChem CID739321
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H13N3O4S/c1-8(18)15-11-12(20)16-14(17-13(11)21)22-7-10(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,18)(H2,16,17,20,21)
InChIKeyYECRHFMKIFMKNB-UHFFFAOYSA-N
XLogP1.41
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)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

2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2211311
N-(4-amino-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 135705908
N-(4-acetylphenyl)-2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2229086
N-[4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 11796749
N-[4-amino-2-(2-hydrazinyl-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 171713921
1-(4-methylphenyl)-6-phenacylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135464775
2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714784
4-(2-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-6-one
CID 166606495
ethyl 2-[(4-amino-5-benzamido-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 135714770
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
N-[4-amino-2-(2-anilino-2-oxoethyl)sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714738
12,12-dimethyl-5-phenacylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 1153948

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide (CID 739321) is N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is YECRHFMKIFMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-8(18)15-11-12(20)16-14(17-13(11)21)22-7-10(19)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,18)(H2,16,17,20,21).
What are the key properties of N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide?
N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-6-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 739321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).