N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide

C24H28N4O3S — CID 24687377

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O3S/c1-3-13-27(20(29)16-32-15-19-11-9-17(2)10-12-19)21-22(25)28(24(31)26-23(21)30)14-18-7-5-4-6-8-18/h4-12H,3,13-16,25H2,1-2H3,(H,26,30,31)
InChIKeyNTNDCAOKTLIMAM-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.15
Rot. Bonds9

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide (PubChem CID 24687377) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide
PubChem CID24687377
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide
SMILESCCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O3S/c1-3-13-27(20(29)16-32-15-19-11-9-17(2)10-12-19)21-22(25)28(24(31)26-23(21)30)14-18-7-5-4-6-8-18/h4-12H,3,13-16,25H2,1-2H3,(H,26,30,31)
InChIKeyNTNDCAOKTLIMAM-UHFFFAOYSA-N
XLogP3.15
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide (CID 24687377) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide is CCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide?
The InChIKey is NTNDCAOKTLIMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-13-27(20(29)16-32-15-19-11-9-17(2)10-12-19)21-22(25)28(24(31)26-23(21)30)14-18-7-5-4-6-8-18/h4-12H,3,13-16,25H2,1-2H3,(H,26,30,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide has a molecular weight of 452.58 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-methylphenyl)methylsulfanyl]-N-propylacetamide is sourced from PubChem (CID 24687377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).