2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide

C16H18N6OS — CID 2566963

IUPAC2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H18N6OS/c1-2-21(12-15(23)17-11-14-9-6-10-24-14)16-18-19-20-22(16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,17,23)
InChIKeyBSPQNKRCKDVPEP-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.87
Rot. Bonds7

About 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide

2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2566963) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2566963
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H18N6OS/c1-2-21(12-15(23)17-11-14-9-6-10-24-14)16-18-19-20-22(16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,17,23)
InChIKeyBSPQNKRCKDVPEP-UHFFFAOYSA-N
XLogP1.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 2566963) is 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BSPQNKRCKDVPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-2-21(12-15(23)17-11-14-9-6-10-24-14)16-18-19-20-22(16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,17,23).
What are the key properties of 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 342.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2566963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).