N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide

C22H32N4O4S — CID 55525317

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)C(C)Sc2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H32N4O4S/c1-6-7-12-25-19(23)18(20(27)24-22(25)29)26(13-14(2)3)21(28)15(4)31-17-10-8-16(30-5)9-11-17/h8-11,14-15H,6-7,12-13,23H2,1-5H3,(H,24,27,29)
InChIKeyUWGUXDWRJIPCFC-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.10
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide (PubChem CID 55525317) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide
PubChem CID55525317
Molecular FormulaC22H32N4O4S
Molecular Weight448.59 g/mol
Exact Mass448.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)C(C)Sc2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H32N4O4S/c1-6-7-12-25-19(23)18(20(27)24-22(25)29)26(13-14(2)3)21(28)15(4)31-17-10-8-16(30-5)9-11-17/h8-11,14-15H,6-7,12-13,23H2,1-5H3,(H,24,27,29)
InChIKeyUWGUXDWRJIPCFC-UHFFFAOYSA-N
XLogP3.10
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide 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)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 55339639
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 24555130
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 32995085
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 30996929
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 51153903

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide (CID 55525317) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide is CCCCn1c(N)c(N(CC(C)C)C(=O)C(C)Sc2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
The InChIKey is UWGUXDWRJIPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-6-7-12-25-19(23)18(20(27)24-22(25)29)26(13-14(2)3)21(28)15(4)31-17-10-8-16(30-5)9-11-17/h8-11,14-15H,6-7,12-13,23H2,1-5H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide has a molecular weight of 448.59 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55525317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).