2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide

C13H22N2OS — CID 43367182

IUPAC2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
SMILESCCCCCc1sc(N)c(C(=O)NCC)c1C
InChIInChI=1S/C13H22N2OS/c1-4-6-7-8-10-9(3)11(12(14)17-10)13(16)15-5-2/h4-8,14H2,1-3H3,(H,15,16)
InChIKeyUKSDONJBRFZMGL-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.12
Rot. Bonds6

About 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide

2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide (PubChem CID 43367182) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
PubChem CID43367182
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
SMILESCCCCCc1sc(N)c(C(=O)NCC)c1C
InChIInChI=1S/C13H22N2OS/c1-4-6-7-8-10-9(3)11(12(14)17-10)13(16)15-5-2/h4-8,14H2,1-3H3,(H,15,16)
InChIKeyUKSDONJBRFZMGL-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
CID 43367155
methyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006766
ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006756
2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
CID 43174820
methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998
(2-amino-4-methyl-5-pentylthiophen-3-yl)-phenylmethanone
CID 65355046
5-amino-2-N-ethyl-4-N,4-N,3-trimethylthiophene-2,4-dicarboxamide
CID 64975420
5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
CID 64975341
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 64975393
methyl 2-amino-5-pentyl-4-phenylthiophene-3-carboxylate
CID 71668939
ethyl 2-amino-5-methyl-4-pentylthiophene-3-carboxylate
CID 68514923
2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide (CID 43367182) is 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide is CCCCCc1sc(N)c(C(=O)NCC)c1C.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide?
The InChIKey is UKSDONJBRFZMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-7-8-10-9(3)11(12(14)17-10)13(16)15-5-2/h4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide?
2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide is sourced from PubChem (CID 43367182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).