N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C19H21N5O2S2 — CID 37285451

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C19H21N5O2S2/c25-18(14-28-19-20-21-22-24(19)13-17-9-5-11-27-17)23(12-16-8-4-10-26-16)15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2
InChIKeyKLMMEAJSYQMKBR-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.95
Rot. Bonds8

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 37285451) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID37285451
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1Cc1cccs1)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C19H21N5O2S2/c25-18(14-28-19-20-21-22-24(19)13-17-9-5-11-27-17)23(12-16-8-4-10-26-16)15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2
InChIKeyKLMMEAJSYQMKBR-UHFFFAOYSA-N
XLogP3.95
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 17454394
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 55379270
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 7628963
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55379250
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 51481266
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55378785
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60561758
N-(cyclohexen-1-yl)-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 37060492
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 55561733
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 51473317
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55498202
N-[(1R)-1-(furan-2-yl)ethyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41142596

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 37285451) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1Cc1cccs1)N(Cc1ccco1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KLMMEAJSYQMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c25-18(14-28-19-20-21-22-24(19)13-17-9-5-11-27-17)23(12-16-8-4-10-26-16)15-6-2-1-3-7-15/h4-6,8-11H,1-3,7,12-14H2.
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 415.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 37285451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).