3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C21H29NO4S — CID 55397848

IUPAC3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NC(c2cccs2)C(C)C)cc(OCC)c1OCC
InChIInChI=1S/C21H29NO4S/c1-6-24-16-12-15(13-17(25-7-2)20(16)26-8-3)21(23)22-19(14(4)5)18-10-9-11-27-18/h9-14,19H,6-8H2,1-5H3,(H,22,23)
InChIKeyGLWIZRLIDKRZTK-UHFFFAOYSA-N
MW391.53 g/mol
LogP5.07
Rot. Bonds10

About 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 55397848) has the molecular formula C21H29NO4S and a molecular weight of 391.53 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID55397848
Molecular FormulaC21H29NO4S
Molecular Weight391.53 g/mol
Exact Mass391.18
IUPAC Name3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NC(c2cccs2)C(C)C)cc(OCC)c1OCC
InChIInChI=1S/C21H29NO4S/c1-6-24-16-12-15(13-17(25-7-2)20(16)26-8-3)21(23)22-19(14(4)5)18-10-9-11-27-18/h9-14,19H,6-8H2,1-5H3,(H,22,23)
InChIKeyGLWIZRLIDKRZTK-UHFFFAOYSA-N
XLogP5.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 104852226
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 55397848) is 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is CCOc1cc(C(=O)NC(c2cccs2)C(C)C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is GLWIZRLIDKRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4S/c1-6-24-16-12-15(13-17(25-7-2)20(16)26-8-3)21(23)22-19(14(4)5)18-10-9-11-27-18/h9-14,19H,6-8H2,1-5H3,(H,22,23).
What are the key properties of 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 391.53 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 55397848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).