2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

C28H30ClFN2O2S — CID 3215233

IUPAC2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C28H30ClFN2O2S/c29-23-10-6-20(7-11-23)14-16-32(26(33)18-21-15-17-35-19-21)27(22-8-12-24(30)13-9-22)28(34)31-25-4-2-1-3-5-25/h6-13,15,17,19,25,27H,1-5,14,16,18H2,(H,31,34)
InChIKeyQXNLJIKLEUMCTJ-UHFFFAOYSA-N
MW513.08 g/mol
LogP6.34
Rot. Bonds9

About 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (PubChem CID 3215233) has the molecular formula C28H30ClFN2O2S and a molecular weight of 513.08 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
PubChem CID3215233
Molecular FormulaC28H30ClFN2O2S
Molecular Weight513.08 g/mol
Exact Mass512.17
IUPAC Name2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)Cc1ccsc1
InChIInChI=1S/C28H30ClFN2O2S/c29-23-10-6-20(7-11-23)14-16-32(26(33)18-21-15-17-35-19-21)27(22-8-12-24(30)13-9-22)28(34)31-25-4-2-1-3-5-25/h6-13,15,17,19,25,27H,1-5,14,16,18H2,(H,31,34)
InChIKeyQXNLJIKLEUMCTJ-UHFFFAOYSA-N
XLogP6.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.08
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 25313917
(2S)-2-[benzyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1457715
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-cyclopentylacetamide
CID 86810132
(2S)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-(2-thiophen-3-ylacetyl)amino]acetamide
CID 1457709
2-[1,3-benzodioxol-5-yl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3215250
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-thiophen-3-ylacetamide
CID 1435929
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 86810073
(2R)-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100606028
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (CID 3215233) is 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(CCc1ccc(Cl)cc1)C(=O)Cc1ccsc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The InChIKey is QXNLJIKLEUMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClFN2O2S/c29-23-10-6-20(7-11-23)14-16-32(26(33)18-21-15-17-35-19-21)27(22-8-12-24(30)13-9-22)28(34)31-25-4-2-1-3-5-25/h6-13,15,17,19,25,27H,1-5,14,16,18H2,(H,31,34).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide has a molecular weight of 513.08 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3215233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).