2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C14H13N5OS2 — CID 2062920

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NCc1cccs1
InChIInChI=1S/C14H13N5OS2/c20-13(15-9-12-7-4-8-21-12)10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20)
InChIKeyAGCFGMRJYNGOCI-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.13
Rot. Bonds6

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2062920) has the molecular formula C14H13N5OS2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2062920
Molecular FormulaC14H13N5OS2
Molecular Weight331.43 g/mol
Exact Mass331.06
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NCc1cccs1
InChIInChI=1S/C14H13N5OS2/c20-13(15-9-12-7-4-8-21-12)10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20)
InChIKeyAGCFGMRJYNGOCI-UHFFFAOYSA-N
XLogP2.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 2062920) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nnnn1-c1ccccc1)NCc1cccs1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AGCFGMRJYNGOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS2/c20-13(15-9-12-7-4-8-21-12)10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 331.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).