N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide

C20H19NO2S — CID 67299446

IUPACN-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide
SMILESCOCC(=O)N(Cc1ccccc1)c1csc(-c2ccccc2)c1
InChIInChI=1S/C20H19NO2S/c1-23-14-20(22)21(13-16-8-4-2-5-9-16)18-12-19(24-15-18)17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3
InChIKeyGBZQLCTVWUYGHZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.59
Rot. Bonds6

About N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide

N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide (PubChem CID 67299446) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide
PubChem CID67299446
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide
SMILESCOCC(=O)N(Cc1ccccc1)c1csc(-c2ccccc2)c1
InChIInChI=1S/C20H19NO2S/c1-23-14-20(22)21(13-16-8-4-2-5-9-16)18-12-19(24-15-18)17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3
InChIKeyGBZQLCTVWUYGHZ-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide?
The IUPAC name of N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide (CID 67299446) is N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide is COCC(=O)N(Cc1ccccc1)c1csc(-c2ccccc2)c1.
What is the InChIKey of N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide?
The InChIKey is GBZQLCTVWUYGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-23-14-20(22)21(13-16-8-4-2-5-9-16)18-12-19(24-15-18)17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3.
What are the key properties of N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide?
N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide has a molecular weight of 337.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide is sourced from PubChem (CID 67299446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).