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

C15H13Cl2N5O2S — CID 24581360

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N5O2S/c1-9(11-5-4-10(16)7-12(11)17)18-13(23)8-21-15(24)22(20-19-21)14-3-2-6-25-14/h2-7,9H,8H2,1H3,(H,18,23)
InChIKeyIUPACLJVTGQMTK-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.67
Rot. Bonds5

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

N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24581360) has the molecular formula C15H13Cl2N5O2S and a molecular weight of 398.28 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24581360
Molecular FormulaC15H13Cl2N5O2S
Molecular Weight398.28 g/mol
Exact Mass397.02
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N5O2S/c1-9(11-5-4-10(16)7-12(11)17)18-13(23)8-21-15(24)22(20-19-21)14-3-2-6-25-14/h2-7,9H,8H2,1H3,(H,18,23)
InChIKeyIUPACLJVTGQMTK-UHFFFAOYSA-N
XLogP2.67
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
propan-2-yl 3-(2-chlorophenyl)-3-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]propanoate
CID 24603782
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
3-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2470397
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131458
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639659
1-[(5-chloro-2-methoxyphenyl)methyl]-4-thiophen-2-yltetrazol-5-one
CID 43037174
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 11919459
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 41135725

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24581360) is N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CC(NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is IUPACLJVTGQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2S/c1-9(11-5-4-10(16)7-12(11)17)18-13(23)8-21-15(24)22(20-19-21)14-3-2-6-25-14/h2-7,9H,8H2,1H3,(H,18,23).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 398.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24581360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).