2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C15H13ClN6O2S — CID 9462455

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NCc1cccs1
InChIInChI=1S/C15H13ClN6O2S/c16-12-6-2-1-5-11(12)14-19-21-22(20-14)9-13(23)18-15(24)17-8-10-4-3-7-25-10/h1-7H,8-9H2,(H2,17,18,23,24)
InChIKeyKVWHRYVPRRGYLY-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.08
Rot. Bonds5

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 9462455) has the molecular formula C15H13ClN6O2S and a molecular weight of 376.83 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID9462455
Molecular FormulaC15H13ClN6O2S
Molecular Weight376.83 g/mol
Exact Mass376.05
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NCc1cccs1
InChIInChI=1S/C15H13ClN6O2S/c16-12-6-2-1-5-11(12)14-19-21-22(20-14)9-13(23)18-15(24)17-8-10-4-3-7-25-10/h1-7H,8-9H2,(H2,17,18,23,24)
InChIKeyKVWHRYVPRRGYLY-UHFFFAOYSA-N
XLogP2.08
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
N-(1-adamantylmethyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7350332
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9120378
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 860036
2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122159016
2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51096564
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
2-chloro-N'-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]benzohydrazide
CID 2744076
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 9462455) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(Cn1nnc(-c2ccccc2Cl)n1)NC(=O)NCc1cccs1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is KVWHRYVPRRGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O2S/c16-12-6-2-1-5-11(12)14-19-21-22(20-14)9-13(23)18-15(24)17-8-10-4-3-7-25-10/h1-7H,8-9H2,(H2,17,18,23,24).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 376.83 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9462455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).