N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene

C15H23NOS — CID 143748403

IUPACN-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
SMILESC=CCC=C.CCCCNC(=O)c1ccc(C)s1
InChIInChI=1S/C10H15NOS.C5H8/c1-3-4-7-11-10(12)9-6-5-8(2)13-9;1-3-5-4-2/h5-6H,3-4,7H2,1-2H3,(H,11,12);3-4H,1-2,5H2
InChIKeySELMBHHWKWHJLB-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.33
Rot. Bonds6

About N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene

N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene (PubChem CID 143748403) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene.

Molecular Properties

Compound NameN-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
PubChem CID143748403
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
SMILESC=CCC=C.CCCCNC(=O)c1ccc(C)s1
InChIInChI=1S/C10H15NOS.C5H8/c1-3-4-7-11-10(12)9-6-5-8(2)13-9;1-3-5-4-2/h5-6H,3-4,7H2,1-2H3,(H,11,12);3-4H,1-2,5H2
InChIKeySELMBHHWKWHJLB-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene?
The IUPAC name of N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene (CID 143748403) is N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene.
What is the SMILES notation for N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene?
The canonical SMILES for N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene is C=CCC=C.CCCCNC(=O)c1ccc(C)s1.
What is the InChIKey of N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene?
The InChIKey is SELMBHHWKWHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS.C5H8/c1-3-4-7-11-10(12)9-6-5-8(2)13-9;1-3-5-4-2/h5-6H,3-4,7H2,1-2H3,(H,11,12);3-4H,1-2,5H2.
What are the key properties of N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene?
N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene has a molecular weight of 265.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene is sourced from PubChem (CID 143748403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).