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

C16H20N2O2S — CID 61471915

IUPAC3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)Cc2ccsc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-20-15-5-4-13(9-14(15)17)16(19)18-11(2)8-12-6-7-21-10-12/h4-7,9-11H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyGZXXJDAQIJIOFJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.09
Rot. Bonds6

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

3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 61471915) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID61471915
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)Cc2ccsc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-3-20-15-5-4-13(9-14(15)17)16(19)18-11(2)8-12-6-7-21-10-12/h4-7,9-11H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyGZXXJDAQIJIOFJ-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.09
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-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 61471915) is 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide is CCOc1ccc(C(=O)NC(C)Cc2ccsc2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is GZXXJDAQIJIOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-20-15-5-4-13(9-14(15)17)16(19)18-11(2)8-12-6-7-21-10-12/h4-7,9-11H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide has a molecular weight of 304.42 g/mol, XLogP of 3.09, 6 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-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61471915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).