N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C13H9Cl2N5O2S — CID 17478619

IUPACN-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c14-8-3-4-9(15)10(6-8)16-11(21)7-19-13(22)20(18-17-19)12-2-1-5-23-12/h1-6H,7H2,(H,16,21)
InChIKeyLKBWJURERLLEQP-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.44
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 17478619) has the molecular formula C13H9Cl2N5O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID17478619
Molecular FormulaC13H9Cl2N5O2S
Molecular Weight370.22 g/mol
Exact Mass368.99
IUPAC NameN-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N5O2S/c14-8-3-4-9(15)10(6-8)16-11(21)7-19-13(22)20(18-17-19)12-2-1-5-23-12/h1-6H,7H2,(H,16,21)
InChIKeyLKBWJURERLLEQP-UHFFFAOYSA-N
XLogP2.44
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581360
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17454179
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 18131241
N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 16580683
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 33081996
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24599967
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131458
1-[(5-chloro-2-methoxyphenyl)methyl]-4-thiophen-2-yltetrazol-5-one
CID 43037174
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 17478619) is N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is LKBWJURERLLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S/c14-8-3-4-9(15)10(6-8)16-11(21)7-19-13(22)20(18-17-19)12-2-1-5-23-12/h1-6H,7H2,(H,16,21).
What are the key properties of N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 370.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 17478619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).