N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide

C21H24N2O2S — CID 155512933

IUPACN-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccoc2CCc2cccs2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-23(4-2)17-9-7-16(8-10-17)22-21(24)19-13-14-25-20(19)12-11-18-6-5-15-26-18/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyHZLXPXBEHMQJLN-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.22
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide

N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide (PubChem CID 155512933) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide
PubChem CID155512933
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccoc2CCc2cccs2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-23(4-2)17-9-7-16(8-10-17)22-21(24)19-13-14-25-20(19)12-11-18-6-5-15-26-18/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyHZLXPXBEHMQJLN-UHFFFAOYSA-N
XLogP5.22
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide (CID 155512933) is N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccoc2CCc2cccs2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide?
The InChIKey is HZLXPXBEHMQJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-23(4-2)17-9-7-16(8-10-17)22-21(24)19-13-14-25-20(19)12-11-18-6-5-15-26-18/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide?
N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2-thiophen-2-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 155512933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).