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

C13H17N5OS2 — CID 1383755

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCc1cccs1
InChIInChI=1S/C13H17N5OS2/c19-12(14-8-11-6-3-7-20-11)9-21-13-15-16-17-18(13)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,14,19)
InChIKeyGYJXCSCCYQWVJI-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.26
Rot. Bonds6

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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1383755) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1383755
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCc1cccs1
InChIInChI=1S/C13H17N5OS2/c19-12(14-8-11-6-3-7-20-11)9-21-13-15-16-17-18(13)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,14,19)
InChIKeyGYJXCSCCYQWVJI-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-Cyclopentyl-2-(4-methyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1155238
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1440820
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
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1081025
US11845767, Example 265
CID 170795364
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 16297820
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 17447802
N-cyclopropyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711286
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(tetrazol-1-yl)acetamide
CID 45796296

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1383755) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nnnn1C1CCCC1)NCc1cccs1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GYJXCSCCYQWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c19-12(14-8-11-6-3-7-20-11)9-21-13-15-16-17-18(13)10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,14,19).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 323.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1383755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).