N-but-3-enyl-3-phenylthiophene-2-carboxamide

C15H15NOS — CID 113465989

IUPACN-but-3-enyl-3-phenylthiophene-2-carboxamide
SMILESC=CCCNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H15NOS/c1-2-3-10-16-15(17)14-13(9-11-18-14)12-7-5-4-6-8-12/h2,4-9,11H,1,3,10H2,(H,16,17)
InChIKeySSTVRIJOKKWDQI-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.72
Rot. Bonds5

About N-but-3-enyl-3-phenylthiophene-2-carboxamide

N-but-3-enyl-3-phenylthiophene-2-carboxamide (PubChem CID 113465989) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-but-3-enyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-but-3-enyl-3-phenylthiophene-2-carboxamide
PubChem CID113465989
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-but-3-enyl-3-phenylthiophene-2-carboxamide
SMILESC=CCCNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H15NOS/c1-2-3-10-16-15(17)14-13(9-11-18-14)12-7-5-4-6-8-12/h2,4-9,11H,1,3,10H2,(H,16,17)
InChIKeySSTVRIJOKKWDQI-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.72
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-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-(4-phenoxybutyl)-3-phenylthiophene-2-carboxamide
CID 31671521
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18227178
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-but-3-enyl-3-phenylthiophene-2-carboxamide (CID 113465989) is N-but-3-enyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-but-3-enyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-but-3-enyl-3-phenylthiophene-2-carboxamide is C=CCCNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-but-3-enyl-3-phenylthiophene-2-carboxamide?
The InChIKey is SSTVRIJOKKWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-3-10-16-15(17)14-13(9-11-18-14)12-7-5-4-6-8-12/h2,4-9,11H,1,3,10H2,(H,16,17).
What are the key properties of N-but-3-enyl-3-phenylthiophene-2-carboxamide?
N-but-3-enyl-3-phenylthiophene-2-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 113465989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).