4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C19H22N2O2S — CID 22170550

IUPAC4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccc(OC3C=CCCC3)cc2)s1
InChIInChI=1S/C19H22N2O2S/c1-13(2)17-12-20-19(24-17)21-18(22)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h4,6,8-13,15H,3,5,7H2,1-2H3,(H,20,21,22)
InChIKeySUAUTWIJYKNXFI-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.01
Rot. Bonds5

About 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170550) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170550
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccc(OC3C=CCCC3)cc2)s1
InChIInChI=1S/C19H22N2O2S/c1-13(2)17-12-20-19(24-17)21-18(22)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h4,6,8-13,15H,3,5,7H2,1-2H3,(H,20,21,22)
InChIKeySUAUTWIJYKNXFI-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide
CID 87108521
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-cyclohex-2-en-1-yloxybenzamide
CID 58867223

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170550) is 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1cnc(NC(=O)c2ccc(OC3C=CCCC3)cc2)s1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SUAUTWIJYKNXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(2)17-12-20-19(24-17)21-18(22)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h4,6,8-13,15H,3,5,7H2,1-2H3,(H,20,21,22).
What are the key properties of 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 342.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).