2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

C18H16N4O3S — CID 60608009

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C18H16N4O3S/c23-15-7-9-22(18(25)21-15)11-16(24)20-14-5-3-4-13(10-14)12-26-17-6-1-2-8-19-17/h1-10H,11-12H2,(H,20,24)(H,21,23,25)
InChIKeyFSDVYAYFUJQOFV-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.86
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (PubChem CID 60608009) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
PubChem CID60608009
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C18H16N4O3S/c23-15-7-9-22(18(25)21-15)11-16(24)20-14-5-3-4-13(10-14)12-26-17-6-1-2-8-19-17/h1-10H,11-12H2,(H,20,24)(H,21,23,25)
InChIKeyFSDVYAYFUJQOFV-UHFFFAOYSA-N
XLogP1.86
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]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-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide
CID 33272400
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47002665
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86942896
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124104
2-(4-fluorophenyl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 56554792
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 52511313
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554634
1-[(3-propan-2-yloxyphenyl)methyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554852

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (CID 60608009) is 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(CSc2ccccn2)c1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The InChIKey is FSDVYAYFUJQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-15-7-9-22(18(25)21-15)11-16(24)20-14-5-3-4-13(10-14)12-26-17-6-1-2-8-19-17/h1-10H,11-12H2,(H,20,24)(H,21,23,25).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 60608009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).