N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C20H23N5O2S — CID 997307

IUPACN-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1nnnn1-c1ccccc1OC
InChIInChI=1S/C20H23N5O2S/c1-4-14-9-8-10-15(5-2)19(14)21-18(26)13-28-20-22-23-24-25(20)16-11-6-7-12-17(16)27-3/h6-12H,4-5,13H2,1-3H3,(H,21,26)
InChIKeyARRBDAUNXKBCHH-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.53
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 997307) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID997307
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1nnnn1-c1ccccc1OC
InChIInChI=1S/C20H23N5O2S/c1-4-14-9-8-10-15(5-2)19(14)21-18(26)13-28-20-22-23-24-25(20)16-11-6-7-12-17(16)27-3/h6-12H,4-5,13H2,1-3H3,(H,21,26)
InChIKeyARRBDAUNXKBCHH-UHFFFAOYSA-N
XLogP3.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-difluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16536120
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 6491205
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
methyl 3-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 33093690
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375
2-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16535931
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083203
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398
N-(3-fluoro-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5141094
N-(dicyclopropylmethyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 31015147

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 997307) is N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCc1cccc(CC)c1NC(=O)CSc1nnnn1-c1ccccc1OC.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ARRBDAUNXKBCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-4-14-9-8-10-15(5-2)19(14)21-18(26)13-28-20-22-23-24-25(20)16-11-6-7-12-17(16)27-3/h6-12H,4-5,13H2,1-3H3,(H,21,26).
What are the key properties of N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 397.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 997307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).