N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C20H17N5OS — CID 9128153

IUPACN-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H17N5OS/c26-19(13-25-23-20(22-24-25)17-10-11-27-14-17)21-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,21,26)
InChIKeyWFTDGGNWEVOWGM-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.63
Rot. Bonds6

About N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128153) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128153
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H17N5OS/c26-19(13-25-23-20(22-24-25)17-10-11-27-14-17)21-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,21,26)
InChIKeyWFTDGGNWEVOWGM-UHFFFAOYSA-N
XLogP3.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261
N-(2-ethylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 5301595
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128153) is N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is WFTDGGNWEVOWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-19(13-25-23-20(22-24-25)17-10-11-27-14-17)21-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,21,26).
What are the key properties of N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 375.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).