3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide

C15H18N2O2S — CID 61093835

IUPAC3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2cccs2)cc1N
InChIInChI=1S/C15H18N2O2S/c1-3-19-13-7-6-11(9-12(13)16)15(18)17-10(2)14-5-4-8-20-14/h4-10H,3,16H2,1-2H3,(H,17,18)
InChIKeyGRZHHKKDJSEKME-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.22
Rot. Bonds5

About 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide

3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 61093835) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID61093835
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2cccs2)cc1N
InChIInChI=1S/C15H18N2O2S/c1-3-19-13-7-6-11(9-12(13)16)15(18)17-10(2)14-5-4-8-20-14/h4-10H,3,16H2,1-2H3,(H,17,18)
InChIKeyGRZHHKKDJSEKME-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

3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
3-amino-4-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119351
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide (CID 61093835) is 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide is CCOc1ccc(C(=O)NC(C)c2cccs2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is GRZHHKKDJSEKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-19-13-7-6-11(9-12(13)16)15(18)17-10(2)14-5-4-8-20-14/h4-10H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide?
3-amino-4-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 3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 61093835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).