N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide

C15H15N5OS — CID 17436323

IUPACN-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H15N5OS/c1-2-20(10-13-4-3-9-22-13)15(21)12-7-5-11(6-8-12)14-16-18-19-17-14/h3-9H,2,10H2,1H3,(H,16,17,18,19)
InChIKeyOSMCPMLTWQSCAT-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide

N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17436323) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17436323
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H15N5OS/c1-2-20(10-13-4-3-9-22-13)15(21)12-7-5-11(6-8-12)14-16-18-19-17-14/h3-9H,2,10H2,1H3,(H,16,17,18,19)
InChIKeyOSMCPMLTWQSCAT-UHFFFAOYSA-N
XLogP2.59
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 17436323) is N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is OSMCPMLTWQSCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-20(10-13-4-3-9-22-13)15(21)12-7-5-11(6-8-12)14-16-18-19-17-14/h3-9H,2,10H2,1H3,(H,16,17,18,19).
What are the key properties of N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide?
N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 313.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17436323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).