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

C19H25NO4S — CID 42907554

IUPAC3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C19H25NO4S/c1-5-22-15-11-14(12-16(23-6-2)18(15)24-7-3)19(21)20-13(4)17-9-8-10-25-17/h8-13H,5-7H2,1-4H3,(H,20,21)
InChIKeyVBNASWZRECJBGN-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.44
Rot. Bonds9

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

3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 42907554) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID42907554
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C19H25NO4S/c1-5-22-15-11-14(12-16(23-6-2)18(15)24-7-3)19(21)20-13(4)17-9-8-10-25-17/h8-13H,5-7H2,1-4H3,(H,20,21)
InChIKeyVBNASWZRECJBGN-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-amino-6-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 81420840
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide (CID 42907554) is 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide is CCOc1cc(C(=O)NC(C)c2cccs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is VBNASWZRECJBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-22-15-11-14(12-16(23-6-2)18(15)24-7-3)19(21)20-13(4)17-9-8-10-25-17/h8-13H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide?
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 363.48 g/mol, XLogP of 4.44, 9 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-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 42907554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).