(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide

C18H25NO2S — CID 99873308

IUPAC(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C([C@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H25NO2S/c20-18(15-5-2-1-3-6-15)19(16-9-12-21-13-10-16)11-8-17-7-4-14-22-17/h1-2,4,7,14-16H,3,5-6,8-13H2/t15-/m0/s1
InChIKeyFAZMRVIXVWOSRS-HNNXBMFYSA-N
MW319.47 g/mol
LogP3.65
Rot. Bonds5

About (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 99873308) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
PubChem CID99873308
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C([C@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H25NO2S/c20-18(15-5-2-1-3-6-15)19(16-9-12-21-13-10-16)11-8-17-7-4-14-22-17/h1-2,4,7,14-16H,3,5-6,8-13H2/t15-/m0/s1
InChIKeyFAZMRVIXVWOSRS-HNNXBMFYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
3-(4-chlorophenyl)-1-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 90611093
1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
CID 90611125
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
1-(3-bromophenyl)-N-(oxan-4-yl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 90610938
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90611073
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide (CID 99873308) is (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide is O=C([C@H]1CC=CCC1)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FAZMRVIXVWOSRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25NO2S/c20-18(15-5-2-1-3-6-15)19(16-9-12-21-13-10-16)11-8-17-7-4-14-22-17/h1-2,4,7,14-16H,3,5-6,8-13H2/t15-/m0/s1.
What are the key properties of (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 99873308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).