N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide

C14H19N3O2S — CID 79989555

IUPACN-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CC(N)=O)C(C)C)sc1C#CCN
InChIInChI=1S/C14H19N3O2S/c1-9(2)17(8-13(16)18)14(19)12-7-10(3)11(20-12)5-4-6-15/h7,9H,6,8,15H2,1-3H3,(H2,16,18)
InChIKeyQEHHNTJKYSWFKJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.70
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 79989555) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID79989555
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CC(N)=O)C(C)C)sc1C#CCN
InChIInChI=1S/C14H19N3O2S/c1-9(2)17(8-13(16)18)14(19)12-7-10(3)11(20-12)5-4-6-15/h7,9H,6,8,15H2,1-3H3,(H2,16,18)
InChIKeyQEHHNTJKYSWFKJ-UHFFFAOYSA-N
XLogP0.70
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 79989555) is N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide is Cc1cc(C(=O)N(CC(N)=O)C(C)C)sc1C#CCN.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is QEHHNTJKYSWFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9(2)17(8-13(16)18)14(19)12-7-10(3)11(20-12)5-4-6-15/h7,9H,6,8,15H2,1-3H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 79989555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).