N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C16H19NO4S — CID 2515781

IUPACN-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4S/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyVCKOJUBWIKXJSY-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.63
Rot. Bonds7

About N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2515781) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2515781
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4S/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyVCKOJUBWIKXJSY-UHFFFAOYSA-N
XLogP2.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2515781) is N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is VCKOJUBWIKXJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-19-13-7-11(8-14(20-2)16(13)21-3)9-15(18)17-10-12-5-4-6-22-12/h4-8H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2515781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).