3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide

C20H20N2O2S — CID 59316398

IUPAC3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(OCCNCc3cccs3)cc2)c1
InChIInChI=1S/C20H20N2O2S/c21-20(23)17-4-1-3-16(13-17)15-6-8-18(9-7-15)24-11-10-22-14-19-5-2-12-25-19/h1-9,12-13,22H,10-11,14H2,(H2,21,23)
InChIKeyCCHDBKPWUKIGRX-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.68
Rot. Bonds8

About 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide

3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide (PubChem CID 59316398) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
PubChem CID59316398
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(OCCNCc3cccs3)cc2)c1
InChIInChI=1S/C20H20N2O2S/c21-20(23)17-4-1-3-16(13-17)15-6-8-18(9-7-15)24-11-10-22-14-19-5-2-12-25-19/h1-9,12-13,22H,10-11,14H2,(H2,21,23)
InChIKeyCCHDBKPWUKIGRX-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.68
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

3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629604
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide
CID 59316491
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
CID 58276753
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
4-[5-[(2-thiophen-2-ylethylamino)methyl]thiophen-2-yl]benzamide
CID 58276505
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
CID 17213242

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide?
The IUPAC name of 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide (CID 59316398) is 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(OCCNCc3cccs3)cc2)c1.
What is the InChIKey of 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide?
The InChIKey is CCHDBKPWUKIGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c21-20(23)17-4-1-3-16(13-17)15-6-8-18(9-7-15)24-11-10-22-14-19-5-2-12-25-19/h1-9,12-13,22H,10-11,14H2,(H2,21,23).
What are the key properties of 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide?
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 59316398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).