2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C14H14N4OS — CID 47007781

IUPAC2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H14N4OS/c1-17(9-11-5-4-8-20-11)14(19)10-18-13-7-3-2-6-12(13)15-16-18/h2-8H,9-10H2,1H3
InChIKeyIVCLIIXOWPASBR-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.15
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 47007781) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID47007781
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H14N4OS/c1-17(9-11-5-4-8-20-11)14(19)10-18-13-7-3-2-6-12(13)15-16-18/h2-8H,9-10H2,1H3
InChIKeyIVCLIIXOWPASBR-UHFFFAOYSA-N
XLogP2.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 47007781) is 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IVCLIIXOWPASBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-17(9-11-5-4-8-20-11)14(19)10-18-13-7-3-2-6-12(13)15-16-18/h2-8H,9-10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 47007781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).