N-[4-(diethylamino)phenyl]thiophene-2-carboxamide

C15H18N2OS — CID 732311

IUPACN-[4-(diethylamino)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-3-17(4-2)13-9-7-12(8-10-13)16-15(18)14-6-5-11-19-14/h5-11H,3-4H2,1-2H3,(H,16,18)
InChIKeyRFTGCCNSOIXDRC-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(diethylamino)phenyl]thiophene-2-carboxamide

N-[4-(diethylamino)phenyl]thiophene-2-carboxamide (PubChem CID 732311) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]thiophene-2-carboxamide
PubChem CID732311
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[4-(diethylamino)phenyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-3-17(4-2)13-9-7-12(8-10-13)16-15(18)14-6-5-11-19-14/h5-11H,3-4H2,1-2H3,(H,16,18)
InChIKeyRFTGCCNSOIXDRC-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]thiophene-2-carboxamide (CID 732311) is N-[4-(diethylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]thiophene-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is RFTGCCNSOIXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-17(4-2)13-9-7-12(8-10-13)16-15(18)14-6-5-11-19-14/h5-11H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(diethylamino)phenyl]thiophene-2-carboxamide?
N-[4-(diethylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 732311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).