N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide

C20H22FNOS — CID 46082873

IUPACN-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCCC1
InChIInChI=1S/C20H22FNOS/c1-2-14-22(17-6-4-3-5-7-17)20(23)19-13-12-18(24-19)15-8-10-16(21)11-9-15/h2,8-13,17H,1,3-7,14H2
InChIKeyVRHHSQZTTFMMGL-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.52
Rot. Bonds5

About N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide

N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 46082873) has the molecular formula C20H22FNOS and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID46082873
Molecular FormulaC20H22FNOS
Molecular Weight343.47 g/mol
Exact Mass343.14
IUPAC NameN-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCCC1
InChIInChI=1S/C20H22FNOS/c1-2-14-22(17-6-4-3-5-7-17)20(23)19-13-12-18(24-19)15-8-10-16(21)11-9-15/h2,8-13,17H,1,3-7,14H2
InChIKeyVRHHSQZTTFMMGL-UHFFFAOYSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide (CID 46082873) is N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide is C=CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is VRHHSQZTTFMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS/c1-2-14-22(17-6-4-3-5-7-17)20(23)19-13-12-18(24-19)15-8-10-16(21)11-9-15/h2,8-13,17H,1,3-7,14H2.
What are the key properties of N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide?
N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-fluorophenyl)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 46082873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).