2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

C19H21N5O4S — CID 1175482

IUPAC2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21N5O4S/c1-4-28-14-7-5-13(6-8-14)20-18(25)12-29-19-21-22-23-24(19)16-10-9-15(26-2)11-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyNAIVFWVPPNSBHX-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.81
Rot. Bonds9

About 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 1175482) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID1175482
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21N5O4S/c1-4-28-14-7-5-13(6-8-14)20-18(25)12-29-19-21-22-23-24(19)16-10-9-15(26-2)11-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyNAIVFWVPPNSBHX-UHFFFAOYSA-N
XLogP2.81
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 1175477
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
N-(2,4-dimethoxyphenyl)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175422
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
4-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 16649170
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175500
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7455377
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8805938
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 1175482) is 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is NAIVFWVPPNSBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-4-28-14-7-5-13(6-8-14)20-18(25)12-29-19-21-22-23-24(19)16-10-9-15(26-2)11-17(16)27-3/h5-11H,4,12H2,1-3H3,(H,20,25).
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 415.48 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1175482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).