N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide

C19H15N3O3S — CID 2830411

IUPACN-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NC(C(=O)c1ccccc1)n1c(=O)cc[nH]c1=S)c1ccccc1
InChIInChI=1S/C19H15N3O3S/c23-15-11-12-20-19(26)22(15)17(16(24)13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-12,17H,(H,20,26)(H,21,25)
InChIKeyFXQHZKQXHQFHHE-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.72
Rot. Bonds5

About N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide

N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide (PubChem CID 2830411) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide
PubChem CID2830411
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide
SMILESO=C(NC(C(=O)c1ccccc1)n1c(=O)cc[nH]c1=S)c1ccccc1
InChIInChI=1S/C19H15N3O3S/c23-15-11-12-20-19(26)22(15)17(16(24)13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-12,17H,(H,20,26)(H,21,25)
InChIKeyFXQHZKQXHQFHHE-UHFFFAOYSA-N
XLogP2.72
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide 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-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
CID 692092
2-(4,5-diphenyl-2-sulfanylidene-1H-imidazol-3-yl)-1-(4-fluorophenyl)ethanone
CID 1267450
N-(benzylcarbamothioyl)benzamide
CID 700976
N-[benzyl(methyl)carbamothioyl]benzamide
CID 3742197
1-Benzyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 5280007
1-Benzyl-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidine-dione
CID 5280008
3-Benzoyluracil
CID 569513
N-[phenyl(phenylformamido)methyl]benzamide
CID 261472
N-(4-benzylpiperazine-1-carbothioyl)benzamide
CID 739305
N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide
CID 775333
Benzamide, N,N'-(2-oxo-2-phenylethylidene)bis-
CID 1101094
N-(2-methylbenzoyl)-N'-(2-oxo-2-phenylethyl)thiourea
CID 1581708

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide?
The IUPAC name of N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide (CID 2830411) is N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide?
The canonical SMILES for N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide is O=C(NC(C(=O)c1ccccc1)n1c(=O)cc[nH]c1=S)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide?
The InChIKey is FXQHZKQXHQFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-15-11-12-20-19(26)22(15)17(16(24)13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-12,17H,(H,20,26)(H,21,25).
What are the key properties of N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide?
N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide has a molecular weight of 365.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 2830411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).