N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide

C15H19N3O4S — CID 89100046

IUPACN-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide
SMILESCN1C(=O)CN(C(=O)c2cc(C(C)(C)C)sc2NC=O)CC1=O
InChIInChI=1S/C15H19N3O4S/c1-15(2,3)10-5-9(13(23-10)16-8-19)14(22)18-6-11(20)17(4)12(21)7-18/h5,8H,6-7H2,1-4H3,(H,16,19)
InChIKeyZEJJPBDRRTZKCK-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.05
Rot. Bonds3

About N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide

N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide (PubChem CID 89100046) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide
PubChem CID89100046
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide
SMILESCN1C(=O)CN(C(=O)c2cc(C(C)(C)C)sc2NC=O)CC1=O
InChIInChI=1S/C15H19N3O4S/c1-15(2,3)10-5-9(13(23-10)16-8-19)14(22)18-6-11(20)17(4)12(21)7-18/h5,8H,6-7H2,1-4H3,(H,16,19)
InChIKeyZEJJPBDRRTZKCK-UHFFFAOYSA-N
XLogP1.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide?
The IUPAC name of N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide (CID 89100046) is N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide.
What is the SMILES notation for N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide?
The canonical SMILES for N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide is CN1C(=O)CN(C(=O)c2cc(C(C)(C)C)sc2NC=O)CC1=O.
What is the InChIKey of N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide?
The InChIKey is ZEJJPBDRRTZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-15(2,3)10-5-9(13(23-10)16-8-19)14(22)18-6-11(20)17(4)12(21)7-18/h5,8H,6-7H2,1-4H3,(H,16,19).
What are the key properties of N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide?
N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide has a molecular weight of 337.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(4-methyl-3,5-dioxopiperazine-1-carbonyl)thiophen-2-yl]formamide is sourced from PubChem (CID 89100046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).