N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide

C24H29FN2O2S — CID 4532052

IUPACN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide
SMILESC=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)C1CCCCC1
InChIInChI=1S/C24H29FN2O2S/c1-2-14-26(24(29)20-7-4-3-5-8-20)18-23(28)27(17-22-9-6-15-30-22)16-19-10-12-21(25)13-11-19/h2,6,9-13,15,20H,1,3-5,7-8,14,16-18H2
InChIKeyBLOZAZKBCJNCFL-UHFFFAOYSA-N
MW428.57 g/mol
LogP5.01
Rot. Bonds9

About N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide (PubChem CID 4532052) has the molecular formula C24H29FN2O2S and a molecular weight of 428.57 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide
PubChem CID4532052
Molecular FormulaC24H29FN2O2S
Molecular Weight428.57 g/mol
Exact Mass428.19
IUPAC NameN-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide
SMILESC=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)C1CCCCC1
InChIInChI=1S/C24H29FN2O2S/c1-2-14-26(24(29)20-7-4-3-5-8-20)18-23(28)27(17-22-9-6-15-30-22)16-19-10-12-21(25)13-11-19/h2,6,9-13,15,20H,1,3-5,7-8,14,16-18H2
InChIKeyBLOZAZKBCJNCFL-UHFFFAOYSA-N
XLogP5.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 55.01
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

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N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
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N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 3703675
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)cyclohexanecarboxamide
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N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
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N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 1059581
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4093220
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 5050137
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
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N-benzyl-2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide (CID 4532052) is N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide is C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide?
The InChIKey is BLOZAZKBCJNCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2S/c1-2-14-26(24(29)20-7-4-3-5-8-20)18-23(28)27(17-22-9-6-15-30-22)16-19-10-12-21(25)13-11-19/h2,6,9-13,15,20H,1,3-5,7-8,14,16-18H2.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide?
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide has a molecular weight of 428.57 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclohexanecarboxamide is sourced from PubChem (CID 4532052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).