N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C23H19N5O4S — CID 2617697

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C23H19N5O4S/c1-30-15-9-7-14(8-10-15)28-23(25-26-27-28)33-13-22(29)24-18-12-20-17(11-21(18)31-2)16-5-3-4-6-19(16)32-20/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyHCIQEKKNEBBDRB-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.31
Rot. Bonds7

About N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2617697) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2617697
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C23H19N5O4S/c1-30-15-9-7-14(8-10-15)28-23(25-26-27-28)33-13-22(29)24-18-12-20-17(11-21(18)31-2)16-5-3-4-6-19(16)32-20/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyHCIQEKKNEBBDRB-UHFFFAOYSA-N
XLogP4.31
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2613804
N-(2-methoxydibenzofuran-3-yl)-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2481777
N-(2-methoxydibenzofuran-3-yl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 33164528
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2502994
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 55426615
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
N-(2-methoxydibenzofuran-3-yl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16514154
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2963452
N-(2-methoxydibenzofuran-3-yl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4817085
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 2982401
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 24524487
N-(2-methoxydibenzofuran-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4805129

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2617697) is N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is HCIQEKKNEBBDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c1-30-15-9-7-14(8-10-15)28-23(25-26-27-28)33-13-22(29)24-18-12-20-17(11-21(18)31-2)16-5-3-4-6-19(16)32-20/h3-12H,13H2,1-2H3,(H,24,29).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 461.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2617697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).