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

C21H24N6O4S — CID 1175456

IUPAC2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C21H24N6O4S/c1-29-15-7-8-19(30-2)18(13-15)27-21(23-24-25-27)32-14-20(28)22-16-5-3-4-6-17(16)26-9-11-31-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,22,28)
InChIKeyDRWOMNNBYBWZQG-UHFFFAOYSA-N
MW456.53 g/mol
LogP2.25
Rot. Bonds8

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

2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1175456) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1175456
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC Name2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C21H24N6O4S/c1-29-15-7-8-19(30-2)18(13-15)27-21(23-24-25-27)32-14-20(28)22-16-5-3-4-6-17(16)26-9-11-31-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,22,28)
InChIKeyDRWOMNNBYBWZQG-UHFFFAOYSA-N
XLogP2.25
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2,5-Dimethoxy-phenyl)-2-(4-ethyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 649453
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(piperidine-1-carbonyl)-phenyl]-acetamide
CID 646039
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[1-(2,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 647087
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1073205
N-(2-methoxyphenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1075013
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2538661
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16321147

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 1175456) is 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is DRWOMNNBYBWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-29-15-7-8-19(30-2)18(13-15)27-21(23-24-25-27)32-14-20(28)22-16-5-3-4-6-17(16)26-9-11-31-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,22,28).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 456.53 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1175456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).