N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane

C14H19N3O4S — CID 166155249

IUPACN-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)NC2CCC(=O)NC2=O)c(NC=O)s1
InChIInChI=1S/C12H13N3O4S.C2H6/c1-6-4-7(12(20-6)13-5-16)10(18)14-8-2-3-9(17)15-11(8)19;1-2/h4-5,8H,2-3H2,1H3,(H,13,16)(H,14,18)(H,15,17,19);1-2H3
InChIKeyUVNXOOOOJQNKQA-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.19
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane

N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane (PubChem CID 166155249) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
PubChem CID166155249
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)NC2CCC(=O)NC2=O)c(NC=O)s1
InChIInChI=1S/C12H13N3O4S.C2H6/c1-6-4-7(12(20-6)13-5-16)10(18)14-8-2-3-9(17)15-11(8)19;1-2/h4-5,8H,2-3H2,1H3,(H,13,16)(H,14,18)(H,15,17,19);1-2H3
InChIKeyUVNXOOOOJQNKQA-UHFFFAOYSA-N
XLogP1.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408625
N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 30698517
(4S)-4-amino-1-({2-[(2,2-dimethylpropanoyl)amino]-5-methyl-3-thienyl}carbonyl)-N-methyl-L-prolinamide
CID 56703857
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156745068
2-acetamido-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 167232717
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
2,2,2-trifluoro-N-[5-methyl-3-(piperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 39162713
N-(2-aminoethyl)-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
CID 39162715
N-[5-ethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroacetamide
CID 39162773
N-(2-aminoethyl)-5-ethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
CID 39162775
N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75439992

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane (CID 166155249) is N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane is CC.Cc1cc(C(=O)NC2CCC(=O)NC2=O)c(NC=O)s1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane?
The InChIKey is UVNXOOOOJQNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S.C2H6/c1-6-4-7(12(20-6)13-5-16)10(18)14-8-2-3-9(17)15-11(8)19;1-2/h4-5,8H,2-3H2,1H3,(H,13,16)(H,14,18)(H,15,17,19);1-2H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane?
N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane has a molecular weight of 325.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane is sourced from PubChem (CID 166155249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).