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

C18H19N5O2S — CID 3671100

IUPACN-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
InChIInChI=1S/C18H19N5O2S/c1-3-13-8-10-14(11-9-13)19-17(24)12-26-18-20-21-22-23(18)15-6-4-5-7-16(15)25-2/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyAQQHXRBUIHNMMY-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.96
Rot. Bonds7

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

N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 3671100) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID3671100
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
InChIInChI=1S/C18H19N5O2S/c1-3-13-8-10-14(11-9-13)19-17(24)12-26-18-20-21-22-23(18)15-6-4-5-7-16(15)25-2/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyAQQHXRBUIHNMMY-UHFFFAOYSA-N
XLogP2.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
methyl 3-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 33093690
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
N-(3-fluoro-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5141094
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4544058
N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16554838
N-(4-chlorophenyl)-2-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 55399673
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 3671100) is N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is AQQHXRBUIHNMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-3-13-8-10-14(11-9-13)19-17(24)12-26-18-20-21-22-23(18)15-6-4-5-7-16(15)25-2/h4-11H,3,12H2,1-2H3,(H,19,24).
What are the key properties of N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 369.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 3671100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).