2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C18H26N6O3S — CID 8682568

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C18H26N6O3S/c1-18(2,23-8-10-27-11-9-23)13-19-16(25)12-28-17-20-21-22-24(17)14-4-6-15(26-3)7-5-14/h4-7H,8-13H2,1-3H3,(H,19,25)
InChIKeyYEBFQWOHRMWDIQ-UHFFFAOYSA-N
MW406.51 g/mol
LogP0.99
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 8682568) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID8682568
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C18H26N6O3S/c1-18(2,23-8-10-27-11-9-23)13-19-16(25)12-28-17-20-21-22-24(17)14-4-6-15(26-3)7-5-14/h4-7H,8-13H2,1-3H3,(H,19,25)
InChIKeyYEBFQWOHRMWDIQ-UHFFFAOYSA-N
XLogP0.99
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8684087
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8917085
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8799351
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46606790
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone
CID 713698
N-(benzylcarbamoyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2617756
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
methyl 4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1037954
N-[2-(2-methoxyphenoxy)ethyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682552
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4814756
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2696351

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 8682568) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is COc1ccc(-n2nnnc2SCC(=O)NCC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is YEBFQWOHRMWDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-18(2,23-8-10-27-11-9-23)13-19-16(25)12-28-17-20-21-22-24(17)14-4-6-15(26-3)7-5-14/h4-7H,8-13H2,1-3H3,(H,19,25).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 406.51 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 8682568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).