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

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
Thienopyridone
CID 91383855
N-cyclohexylthiophene-2-carboxamide
CID 855035
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198

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).