N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide

C22H28N6O3S — CID 42256902

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nccn2CC)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O3S/c1-3-5-12-27-19(23)18(20(30)25-21(27)31)28(14-16-9-7-6-8-10-16)17(29)15-32-22-24-11-13-26(22)4-2/h6-11,13H,3-5,12,14-15,23H2,1-2H3,(H,25,30,31)
InChIKeyYPNOVVPXJPXNOZ-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.46
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide (PubChem CID 42256902) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide
PubChem CID42256902
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nccn2CC)c(=O)[nH]c1=O
InChIInChI=1S/C22H28N6O3S/c1-3-5-12-27-19(23)18(20(30)25-21(27)31)28(14-16-9-7-6-8-10-16)17(29)15-32-22-24-11-13-26(22)4-2/h6-11,13H,3-5,12,14-15,23H2,1-2H3,(H,25,30,31)
InChIKeyYPNOVVPXJPXNOZ-UHFFFAOYSA-N
XLogP2.46
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide 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-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 9200802
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 24578552
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 24602186
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134282
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylphenyl)sulfanylacetamide
CID 29310183
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide
CID 26186362

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide (CID 42256902) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nccn2CC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is YPNOVVPXJPXNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-3-5-12-27-19(23)18(20(30)25-21(27)31)28(14-16-9-7-6-8-10-16)17(29)15-32-22-24-11-13-26(22)4-2/h6-11,13H,3-5,12,14-15,23H2,1-2H3,(H,25,30,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 456.57 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 42256902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).