5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide

C12H19N3O3S — CID 103427047

IUPAC5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NCCCOC)sc(C(C)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-7(16)10-9(13)8(11(17)14-2)12(19-10)15-5-4-6-18-3/h15H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyKBKSUQOTSIFFIY-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.34
Rot. Bonds7

About 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide

5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide (PubChem CID 103427047) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
PubChem CID103427047
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1c(NCCCOC)sc(C(C)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-7(16)10-9(13)8(11(17)14-2)12(19-10)15-5-4-6-18-3/h15H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyKBKSUQOTSIFFIY-UHFFFAOYSA-N
XLogP1.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508226
methyl 5-acetyl-4-amino-2-(pentylamino)thiophene-3-carboxylate
CID 103425363
3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
CID 103426994
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103427050

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide (CID 103427047) is 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide is CNC(=O)c1c(NCCCOC)sc(C(C)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide?
The InChIKey is KBKSUQOTSIFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(16)10-9(13)8(11(17)14-2)12(19-10)15-5-4-6-18-3/h15H,4-6,13H2,1-3H3,(H,14,17).
What are the key properties of 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide?
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103427047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).