4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide

C18H18N2OS2 — CID 58276505

IUPAC4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(CNCCc3cccs3)s2)cc1
InChIInChI=1S/C18H18N2OS2/c19-18(21)14-5-3-13(4-6-14)17-8-7-16(23-17)12-20-10-9-15-2-1-11-22-15/h1-8,11,20H,9-10,12H2,(H2,19,21)
InChIKeyKBZRKJWGOWLAHN-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.91
Rot. Bonds7

About 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide

4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide (PubChem CID 58276505) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide
PubChem CID58276505
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(CNCCc3cccs3)s2)cc1
InChIInChI=1S/C18H18N2OS2/c19-18(21)14-5-3-13(4-6-14)17-8-7-16(23-17)12-20-10-9-15-2-1-11-22-15/h1-8,11,20H,9-10,12H2,(H2,19,21)
InChIKeyKBZRKJWGOWLAHN-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromobenzamide;4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 67159974
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
CID 106174788
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
3-amino-4-(2-thiophen-2-ylethylamino)benzamide
CID 43382673
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
4-[[[ethylamino-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]benzamide
CID 111349236
2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
N-[(5-phenylthiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62197933
4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]benzamide
CID 47113148

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide?
The IUPAC name of 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide (CID 58276505) is 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide.
What is the SMILES notation for 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide?
The canonical SMILES for 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide is NC(=O)c1ccc(-c2ccc(CNCCc3cccs3)s2)cc1.
What is the InChIKey of 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide?
The InChIKey is KBZRKJWGOWLAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c19-18(21)14-5-3-13(4-6-14)17-8-7-16(23-17)12-20-10-9-15-2-1-11-22-15/h1-8,11,20H,9-10,12H2,(H2,19,21).
What are the key properties of 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide?
4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide has a molecular weight of 342.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 58276505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).