N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide

C24H16N4O3S — CID 155547483

IUPACN-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2c(O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C24H16N4O3S/c25-15-16-8-7-9-17(14-16)26-21(29)20-22(30)27(18-10-3-1-4-11-18)24(32)28(23(20)31)19-12-5-2-6-13-19/h1-14,30H,(H,26,29)
InChIKeyZLOSUTFQIDLZMJ-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.19
Rot. Bonds4

About N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide

N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide (PubChem CID 155547483) has the molecular formula C24H16N4O3S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide
PubChem CID155547483
Molecular FormulaC24H16N4O3S
Molecular Weight440.48 g/mol
Exact Mass440.09
IUPAC NameN-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2c(O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C24H16N4O3S/c25-15-16-8-7-9-17(14-16)26-21(29)20-22(30)27(18-10-3-1-4-11-18)24(32)28(23(20)31)19-12-5-2-6-13-19/h1-14,30H,(H,26,29)
InChIKeyZLOSUTFQIDLZMJ-UHFFFAOYSA-N
XLogP4.19
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 142894550
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CID 26245567
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CID 27826709
N-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084163
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(3-cyanophenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 26775683
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide (CID 155547483) is N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide is N#Cc1cccc(NC(=O)c2c(O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide?
The InChIKey is ZLOSUTFQIDLZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O3S/c25-15-16-8-7-9-17(14-16)26-21(29)20-22(30)27(18-10-3-1-4-11-18)24(32)28(23(20)31)19-12-5-2-6-13-19/h1-14,30H,(H,26,29).
What are the key properties of N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide?
N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-hydroxy-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxamide is sourced from PubChem (CID 155547483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).