[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid

C14H16N4O6S — CID 139536216

IUPAC[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1CNC(=O)O
InChIInChI=1S/C14H16N4O6S/c1-6(19)16-11-7(5-25-9(11)4-15-14(23)24)12(21)17-8-2-3-10(20)18-13(8)22/h5,8,15H,2-4H2,1H3,(H,16,19)(H,17,21)(H,23,24)(H,18,20,22)
InChIKeyQUASFGVNENYWDF-UHFFFAOYSA-N
MW368.37 g/mol
LogP0.01
Rot. Bonds5

About [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid

[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid (PubChem CID 139536216) has the molecular formula C14H16N4O6S and a molecular weight of 368.37 g/mol. Its IUPAC name is [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
PubChem CID139536216
Molecular FormulaC14H16N4O6S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1CNC(=O)O
InChIInChI=1S/C14H16N4O6S/c1-6(19)16-11-7(5-25-9(11)4-15-14(23)24)12(21)17-8-2-3-10(20)18-13(8)22/h5,8,15H,2-4H2,1H3,(H,16,19)(H,17,21)(H,23,24)(H,18,20,22)
InChIKeyQUASFGVNENYWDF-UHFFFAOYSA-N
XLogP0.01
TPSA153.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
3-[7-(Aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 146192618
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
[4-Acetamido-5-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
CID 139536215
4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 139536275
[3-(2,6-Dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methylcarbamic acid
CID 146345278
tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate
CID 150945150
3-acetamido-N-(2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
CID 156408681
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
N-(2,6-dioxopiperidin-3-yl)-3-(1-hydroxyethylamino)thiophene-2-carboxamide
CID 156435073
[3-Acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl carbamate
CID 175140127

Frequently Asked Questions

What is the IUPAC name of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
The IUPAC name of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid (CID 139536216) is [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid.
What is the SMILES notation for [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
The canonical SMILES for [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid is CC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1CNC(=O)O.
What is the InChIKey of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
The InChIKey is QUASFGVNENYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6S/c1-6(19)16-11-7(5-25-9(11)4-15-14(23)24)12(21)17-8-2-3-10(20)18-13(8)22/h5,8,15H,2-4H2,1H3,(H,16,19)(H,17,21)(H,23,24)(H,18,20,22).
What are the key properties of [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid?
[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid has a molecular weight of 368.37 g/mol, XLogP of 0.01, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid is sourced from PubChem (CID 139536216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).