N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C21H25N5O5S — CID 1175567

IUPACN-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C21H25N5O5S/c1-5-30-15-7-8-19(31-6-2)18(12-15)22-20(27)13-32-21-23-24-25-26(21)14-9-16(28-3)11-17(10-14)29-4/h7-12H,5-6,13H2,1-4H3,(H,22,27)
InChIKeyOCXZVLCCUBNZMQ-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.21
Rot. Bonds11

About N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1175567) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1175567
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC NameN-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C21H25N5O5S/c1-5-30-15-7-8-19(31-6-2)18(12-15)22-20(27)13-32-21-23-24-25-26(21)14-9-16(28-3)11-17(10-14)29-4/h7-12H,5-6,13H2,1-4H3,(H,22,27)
InChIKeyOCXZVLCCUBNZMQ-UHFFFAOYSA-N
XLogP3.21
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1175482
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
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 859389
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 8805938
N-(2,5-diethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1172047
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4238077
N-[5-[[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide
CID 1172288
2-[1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 3229011
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-dimethoxyphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 35141887
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1175567) is N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is OCXZVLCCUBNZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S/c1-5-30-15-7-8-19(31-6-2)18(12-15)22-20(27)13-32-21-23-24-25-26(21)14-9-16(28-3)11-17(10-14)29-4/h7-12H,5-6,13H2,1-4H3,(H,22,27).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 459.53 g/mol, XLogP of 3.21, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1175567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).