N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide

C24H28N4O5S — CID 43035654

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)CCSc2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O5S/c1-32-14-13-27-22(25)21(23(30)26-24(27)31)28(16-17-6-4-3-5-7-17)20(29)12-15-34-19-10-8-18(33-2)9-11-19/h3-11H,12-16,25H2,1-2H3,(H,26,30,31)
InChIKeyPYERHSBQNNDBRK-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.49
Rot. Bonds11

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 43035654) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID43035654
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)CCSc2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O5S/c1-32-14-13-27-22(25)21(23(30)26-24(27)31)28(16-17-6-4-3-5-7-17)20(29)12-15-34-19-10-8-18(33-2)9-11-19/h3-11H,12-16,25H2,1-2H3,(H,26,30,31)
InChIKeyPYERHSBQNNDBRK-UHFFFAOYSA-N
XLogP2.49
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
CID 16548948
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(3,5-dimethylphenoxy)propanamide
CID 35535172
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-methoxyphenyl)propanamide
CID 26069603
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-bromophenoxy)propanamide
CID 42906789
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600439
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 27668783
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 4816263
(2S)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(3-chlorophenoxy)propanamide
CID 26118598

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide (CID 43035654) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCSc2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is PYERHSBQNNDBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-32-14-13-27-22(25)21(23(30)26-24(27)31)28(16-17-6-4-3-5-7-17)20(29)12-15-34-19-10-8-18(33-2)9-11-19/h3-11H,12-16,25H2,1-2H3,(H,26,30,31).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 484.58 g/mol, XLogP of 2.49, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 43035654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).