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

C14H19N5OS2 — CID 1440820

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCc1cccs1
InChIInChI=1S/C14H19N5OS2/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/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,20)
InChIKeyGNRIDMRKWBQBQO-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.65
Rot. Bonds6

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

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1440820) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1440820
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCc1cccs1
InChIInChI=1S/C14H19N5OS2/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/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,20)
InChIKeyGNRIDMRKWBQBQO-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1383755
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655634
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655852
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 649442
N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2439149
N-cyclohexyl-2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 1071871
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1081025
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2062920
US11845767, Example 265
CID 170795364
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 41568381
N-((1-cyclohexyl-1H-tetrazol-5-yl)methyl)thiophene-2-carboxamide
CID 41568395
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 16297820

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1440820) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nnnn1C1CCCCC1)NCc1cccs1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GNRIDMRKWBQBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/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/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,20).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1440820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).