N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C15H15N5O3S — CID 9128117

IUPACN-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)c(OC)c1
InChIInChI=1S/C15H15N5O3S/c1-22-11-3-4-12(13(7-11)23-2)16-14(21)8-20-18-15(17-19-20)10-5-6-24-9-10/h3-7,9H,8H2,1-2H3,(H,16,21)
InChIKeyXFSYUEOKEKRGDO-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.06
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128117) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128117
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)c(OC)c1
InChIInChI=1S/C15H15N5O3S/c1-22-11-3-4-12(13(7-11)23-2)16-14(21)8-20-18-15(17-19-20)10-5-6-24-9-10/h3-7,9H,8H2,1-2H3,(H,16,21)
InChIKeyXFSYUEOKEKRGDO-UHFFFAOYSA-N
XLogP2.06
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440057
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
N-(2,4-dimethoxyphenyl)-2-[5-(1H-indol-3-yl)tetrazol-2-yl]acetamide
CID 1454689
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
N-(2-benzylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128153
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
CID 9128168
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097
2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 112521461
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128117) is N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccsc3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is XFSYUEOKEKRGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-22-11-3-4-12(13(7-11)23-2)16-14(21)8-20-18-15(17-19-20)10-5-6-24-9-10/h3-7,9H,8H2,1-2H3,(H,16,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).