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'}

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

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

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 79998100
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylbutyl)thiophene-2-carboxamide
CID 79989544
5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 79990216
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide
CID 81062272
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfonylethyl)thiophene-2-carboxamide
CID 79990677
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-ethylbutyl)-4-methylthiophene-2-carboxamide
CID 79997871
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112663432
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346971
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 79998084
5-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-phenylthiophene-2-carboxamide
CID 79977273
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79990324
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]thiophene-2-carboxamide
CID 79989898

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).