2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

C18H26N6OS2 — CID 39988474

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NC[C@@H](c1cccs1)N1CCCC1
InChIInChI=1S/C18H26N6OS2/c25-17(13-27-18-20-21-22-24(18)14-6-1-2-7-14)19-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2,(H,19,25)/t15-/m0/s1
InChIKeyCPIWNQHWABJHCD-HNNXBMFYSA-N
MW406.58 g/mol
LogP2.90
Rot. Bonds8

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (PubChem CID 39988474) has the molecular formula C18H26N6OS2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
PubChem CID39988474
Molecular FormulaC18H26N6OS2
Molecular Weight406.58 g/mol
Exact Mass406.16
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NC[C@@H](c1cccs1)N1CCCC1
InChIInChI=1S/C18H26N6OS2/c25-17(13-27-18-20-21-22-24(18)14-6-1-2-7-14)19-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2,(H,19,25)/t15-/m0/s1
InChIKeyCPIWNQHWABJHCD-HNNXBMFYSA-N
XLogP2.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 55526730
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 39612986
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46640187
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46588445
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 112765097
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987876
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 9204575
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55642231
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 112763596

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide (CID 39988474) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is O=C(CSc1nnnn1C1CCCC1)NC[C@@H](c1cccs1)N1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is CPIWNQHWABJHCD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6OS2/c25-17(13-27-18-20-21-22-24(18)14-6-1-2-7-14)19-12-15(16-8-5-11-26-16)23-9-3-4-10-23/h5,8,11,14-15H,1-4,6-7,9-10,12-13H2,(H,19,25)/t15-/m0/s1.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 406.58 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 39988474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).