4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide

C12H17NOS — CID 115627911

IUPAC4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H17NOS/c1-4-5-6-7-13-12(14)11-8-9(2)10(3)15-11/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+
InChIKeyNOKWIVBJYNJTFE-SNAWJCMRSA-N
MW223.34 g/mol
LogP3.06
Rot. Bonds4

About 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide

4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide (PubChem CID 115627911) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
PubChem CID115627911
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H17NOS/c1-4-5-6-7-13-12(14)11-8-9(2)10(3)15-11/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+
InChIKeyNOKWIVBJYNJTFE-SNAWJCMRSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.06
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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Related Compounds

N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-(4-amino-4-sulfanylidenebutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239005
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 103767606
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65112566
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide (CID 115627911) is 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide is C/C=C/CCNC(=O)c1cc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
The InChIKey is NOKWIVBJYNJTFE-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-5-6-7-13-12(14)11-8-9(2)10(3)15-11/h4-5,8H,6-7H2,1-3H3,(H,13,14)/b5-4+.
What are the key properties of 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide has a molecular weight of 223.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(E)-pent-3-enyl]thiophene-2-carboxamide is sourced from PubChem (CID 115627911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).