4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide

C16H28N2OS — CID 61108711

IUPAC4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H28N2OS/c1-4-6-8-10-18(11-9-7-5-2)16(19)15-12-14(17)13(3)20-15/h12H,4-11,17H2,1-3H3
InChIKeyFKAGXLQLHJRBIJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.46
Rot. Bonds9

About 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide

4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide (PubChem CID 61108711) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
PubChem CID61108711
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C16H28N2OS/c1-4-6-8-10-18(11-9-7-5-2)16(19)15-12-14(17)13(3)20-15/h12H,4-11,17H2,1-3H3
InChIKeyFKAGXLQLHJRBIJ-UHFFFAOYSA-N
XLogP4.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
N,5-dimethyl-N-pentyl-4-sulfamoylthiophene-2-carboxamide
CID 112676812
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
4-amino-N,N-didodecylbenzamide
CID 5077826
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101958
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
CID 107819621
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide (CID 61108711) is 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide is CCCCCN(CCCCC)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide?
The InChIKey is FKAGXLQLHJRBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-6-8-10-18(11-9-7-5-2)16(19)15-12-14(17)13(3)20-15/h12H,4-11,17H2,1-3H3.
What are the key properties of 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide?
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide has a molecular weight of 296.48 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide is sourced from PubChem (CID 61108711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).