3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide

C13H22N4O3S — CID 103423352

IUPAC3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(NCCOC)c(C(=O)NC)c1N
InChIInChI=1S/C13H22N4O3S/c1-4-5-16-12(19)10-9(14)8(11(18)15-2)13(21-10)17-6-7-20-3/h17H,4-7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyMXVPTLSAGKYZLB-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.89
Rot. Bonds8

About 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide

3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide (PubChem CID 103423352) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
PubChem CID103423352
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
SMILESCCCNC(=O)c1sc(NCCOC)c(C(=O)NC)c1N
InChIInChI=1S/C13H22N4O3S/c1-4-5-16-12(19)10-9(14)8(11(18)15-2)13(21-10)17-6-7-20-3/h17H,4-7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyMXVPTLSAGKYZLB-UHFFFAOYSA-N
XLogP0.89
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103505674
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
CID 103425822

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide (CID 103423352) is 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide is CCCNC(=O)c1sc(NCCOC)c(C(=O)NC)c1N.
What is the InChIKey of 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide?
The InChIKey is MXVPTLSAGKYZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-5-16-12(19)10-9(14)8(11(18)15-2)13(21-10)17-6-7-20-3/h17H,4-7,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide?
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103423352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).