3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide

C24H27NO4S — CID 8820643

IUPAC3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C24H27NO4S/c1-4-27-19-15-18(16-20(28-5-2)23(19)29-6-3)24(26)25-22(21-13-10-14-30-21)17-11-8-7-9-12-17/h7-16,22H,4-6H2,1-3H3,(H,25,26)/t22-/m1/s1
InChIKeyHTTODTHCSBMWRD-JOCHJYFZSA-N
MW425.55 g/mol
LogP5.46
Rot. Bonds10

About 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide

3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 8820643) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID8820643
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC Name3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C24H27NO4S/c1-4-27-19-15-18(16-20(28-5-2)23(19)29-6-3)24(26)25-22(21-13-10-14-30-21)17-11-8-7-9-12-17/h7-16,22H,4-6H2,1-3H3,(H,25,26)/t22-/m1/s1
InChIKeyHTTODTHCSBMWRD-JOCHJYFZSA-N
XLogP5.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
4-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]butanamide
CID 8853760
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide (CID 8820643) is 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide is CCOc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is HTTODTHCSBMWRD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27NO4S/c1-4-27-19-15-18(16-20(28-5-2)23(19)29-6-3)24(26)25-22(21-13-10-14-30-21)17-11-8-7-9-12-17/h7-16,22H,4-6H2,1-3H3,(H,25,26)/t22-/m1/s1.
What are the key properties of 3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide?
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 425.55 g/mol, XLogP of 5.46, 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-[(R)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 8820643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).