N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C18H19N5O2S — CID 17421880

IUPACN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C18H19N5O2S/c24-17(13-23-20-18(19-21-23)16-9-5-11-26-16)22(12-15-8-4-10-25-15)14-6-2-1-3-7-14/h4-6,8-11H,1-3,7,12-13H2
InChIKeyYUEIZJMTDAUJLX-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.48
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 17421880) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID17421880
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)N(Cc1ccco1)C1=CCCCC1
InChIInChI=1S/C18H19N5O2S/c24-17(13-23-20-18(19-21-23)16-9-5-11-26-16)22(12-15-8-4-10-25-15)14-6-2-1-3-7-14/h4-6,8-11H,1-3,7,12-13H2
InChIKeyYUEIZJMTDAUJLX-UHFFFAOYSA-N
XLogP3.48
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 17421880) is N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)N(Cc1ccco1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is YUEIZJMTDAUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-17(13-23-20-18(19-21-23)16-9-5-11-26-16)22(12-15-8-4-10-25-15)14-6-2-1-3-7-14/h4-6,8-11H,1-3,7,12-13H2.
What are the key properties of N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 17421880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).