N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide

C23H25NO2S — CID 90598426

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
SMILESCOC(CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)s1
InChIInChI=1S/C23H25NO2S/c1-17-13-14-22(27-17)21(26-2)16-24-23(25)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20-21H,15-16H2,1-2H3,(H,24,25)
InChIKeyBXTCAGFDIGPDLD-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.08
Rot. Bonds8

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide (PubChem CID 90598426) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
PubChem CID90598426
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
SMILESCOC(CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)s1
InChIInChI=1S/C23H25NO2S/c1-17-13-14-22(27-17)21(26-2)16-24-23(25)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20-21H,15-16H2,1-2H3,(H,24,25)
InChIKeyBXTCAGFDIGPDLD-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97417390
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]pent-4-enamide
CID 90598306
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90598410
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
2-(4-fluorophenyl)sulfanyl-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97417429
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 71810342
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide (CID 90598426) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide is COC(CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide?
The InChIKey is BXTCAGFDIGPDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-17-13-14-22(27-17)21(26-2)16-24-23(25)15-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20-21H,15-16H2,1-2H3,(H,24,25).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide has a molecular weight of 379.53 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 90598426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).