tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate

C18H24N4O6S — CID 150945150

IUPACtert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O6S/c1-9(23)20-14-10(15(25)21-11-5-6-13(24)22-16(11)26)8-29-12(14)7-19-17(27)28-18(2,3)4/h8,11H,5-7H2,1-4H3,(H,19,27)(H,20,23)(H,21,25)(H,22,24,26)
InChIKeyLIWVTDJXMCYQBB-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate

tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate (PubChem CID 150945150) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate
PubChem CID150945150
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC Nametert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O6S/c1-9(23)20-14-10(15(25)21-11-5-6-13(24)22-16(11)26)8-29-12(14)7-19-17(27)28-18(2,3)4/h8,11H,5-7H2,1-4H3,(H,19,27)(H,20,23)(H,21,25)(H,22,24,26)
InChIKeyLIWVTDJXMCYQBB-UHFFFAOYSA-N
XLogP1.27
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate with MolForge

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Related Compounds

4-Methyl-N-propyl-3-[[(2RS)-2-(propylamino)propanoyl]amino]thiophene-2-carboxamide Hydrochloride (Articaine Acid Propionamide Hydrochloride)
CID 129318500
tert-butyl N-[2-[[3-[[2-(4-fluoro-4-methylpiperidin-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]amino]ethyl]-N-methylcarbamate
CID 176328924
Articaine acid propionamide
CID 129318501
[3-Acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
CID 139536216
4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 139536275
tert-butyl N-[[4-acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate
CID 152484996
tert-butyl N-[[5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-3-yl]methyl]carbamate
CID 156434963
[3-Acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate
CID 175140127
tert-butyl N-[2-[[3-[[2-(azepan-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]amino]ethyl]-N-methylcarbamate
CID 176328888
tert-butyl N-[3-[[3-[[2-(4,4-dimethylpiperidin-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]amino]propyl]-N-methylcarbamate
CID 176328893
Tert-butyl 4-[3-[[2-(azepan-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]piperazine-1-carboxylate
CID 176328898
Tert-butyl 4-[[[3-[[2-(azepan-1-yl)acetyl]amino]-4-methylthiophene-2-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 176328904

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate (CID 150945150) is tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate is CC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate?
The InChIKey is LIWVTDJXMCYQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6S/c1-9(23)20-14-10(15(25)21-11-5-6-13(24)22-16(11)26)8-29-12(14)7-19-17(27)28-18(2,3)4/h8,11H,5-7H2,1-4H3,(H,19,27)(H,20,23)(H,21,25)(H,22,24,26).
What are the key properties of tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate?
tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate has a molecular weight of 424.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate is sourced from PubChem (CID 150945150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).