2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide

C21H19N5OS — CID 46607871

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC(c3ccccc3)c3cccs3)n2)cc1
InChIInChI=1S/C21H19N5OS/c1-15-9-11-17(12-10-15)21-23-25-26(24-21)14-19(27)22-20(18-8-5-13-28-18)16-6-3-2-4-7-16/h2-13,20H,14H2,1H3,(H,22,27)
InChIKeyHHUIYCZJZLVXNS-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.62
Rot. Bonds6

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 46607871) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID46607871
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NC(c3ccccc3)c3cccs3)n2)cc1
InChIInChI=1S/C21H19N5OS/c1-15-9-11-17(12-10-15)21-23-25-26(24-21)14-19(27)22-20(18-8-5-13-28-18)16-6-3-2-4-7-16/h2-13,20H,14H2,1H3,(H,22,27)
InChIKeyHHUIYCZJZLVXNS-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8685781
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 17424139
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8685269
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
2-[methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786221
2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24594294

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 46607871) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide is Cc1ccc(-c2nnn(CC(=O)NC(c3ccccc3)c3cccs3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is HHUIYCZJZLVXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-15-9-11-17(12-10-15)21-23-25-26(24-21)14-19(27)22-20(18-8-5-13-28-18)16-6-3-2-4-7-16/h2-13,20H,14H2,1H3,(H,22,27).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 46607871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).