N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide

C17H21NO3S — CID 38370894

IUPACN-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCc2cccs2)cc1OCC
InChIInChI=1S/C17H21NO3S/c1-3-20-15-9-7-13(12-16(15)21-4-2)18-17(19)10-8-14-6-5-11-22-14/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyBOCFDNJIQXMTMO-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.12
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide

N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 38370894) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
PubChem CID38370894
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCc2cccs2)cc1OCC
InChIInChI=1S/C17H21NO3S/c1-3-20-15-9-7-13(12-16(15)21-4-2)18-17(19)10-8-14-6-5-11-22-14/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyBOCFDNJIQXMTMO-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798734
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide (CID 38370894) is N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide is CCOc1ccc(NC(=O)CCc2cccs2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is BOCFDNJIQXMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-20-15-9-7-13(12-16(15)21-4-2)18-17(19)10-8-14-6-5-11-22-14/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide?
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 38370894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).