2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide

C18H15N9O2S2 — CID 17325155

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H15N9O2S2/c28-15(11-30-17-20-22-24-26(17)13-7-3-1-4-8-13)19-16(29)12-31-18-21-23-25-27(18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,28,29)
InChIKeyMHZWJCCYFGRMBY-UHFFFAOYSA-N
MW453.51 g/mol
LogP1.17
Rot. Bonds8

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide (PubChem CID 17325155) has the molecular formula C18H15N9O2S2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
PubChem CID17325155
Molecular FormulaC18H15N9O2S2
Molecular Weight453.51 g/mol
Exact Mass453.08
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C18H15N9O2S2/c28-15(11-30-17-20-22-24-26(17)13-7-3-1-4-8-13)19-16(29)12-31-18-21-23-25-27(18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,28,29)
InChIKeyMHZWJCCYFGRMBY-UHFFFAOYSA-N
XLogP1.17
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 578136
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-[2-(dimethylamino)-2-phenylethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 42982990
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
potassium 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 44889777
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 7757118
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-propan-2-yloxadiazol-3-ium-5-yl)acetamide
CID 53294777

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide (CID 17325155) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide is O=C(CSc1nnnn1-c1ccccc1)NC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
The InChIKey is MHZWJCCYFGRMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N9O2S2/c28-15(11-30-17-20-22-24-26(17)13-7-3-1-4-8-13)19-16(29)12-31-18-21-23-25-27(18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,28,29).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide has a molecular weight of 453.51 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide is sourced from PubChem (CID 17325155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).