2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide

C15H18N2O2S — CID 81420840

IUPAC2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NC(C)c1cccs1
InChIInChI=1S/C15H18N2O2S/c1-3-19-12-7-4-6-11(16)14(12)15(18)17-10(2)13-8-5-9-20-13/h4-10H,3,16H2,1-2H3,(H,17,18)
InChIKeyLLPYESLVGIMTPB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.22
Rot. Bonds5

About 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide

2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 81420840) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID81420840
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NC(C)c1cccs1
InChIInChI=1S/C15H18N2O2S/c1-3-19-12-7-4-6-11(16)14(12)15(18)17-10(2)13-8-5-9-20-13/h4-10H,3,16H2,1-2H3,(H,17,18)
InChIKeyLLPYESLVGIMTPB-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-ethoxybenzamide
CID 106343706
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
4-(2-ethoxyphenoxy)-N-(1-thiophen-2-ylethyl)butanamide
CID 112766186
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide (CID 81420840) is 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide is CCOc1cccc(N)c1C(=O)NC(C)c1cccs1.
What is the InChIKey of 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is LLPYESLVGIMTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-19-12-7-4-6-11(16)14(12)15(18)17-10(2)13-8-5-9-20-13/h4-10H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 290.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 81420840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).