(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide

C28H29FN2O3S — CID 40580851

IUPAC(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1
InChIInChI=1S/C28H29FN2O3S/c1-19(32)21-7-5-10-24(17-21)31(26(33)18-25-11-6-16-35-25)27(20-12-14-22(29)15-13-20)28(34)30-23-8-3-2-4-9-23/h5-7,10-17,23,27H,2-4,8-9,18H2,1H3,(H,30,34)/t27-/m1/s1
InChIKeyZOAIVFBLNOJIGA-HHHXNRCGSA-N
MW492.62 g/mol
LogP5.86
Rot. Bonds8

About (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide

(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide (PubChem CID 40580851) has the molecular formula C28H29FN2O3S and a molecular weight of 492.62 g/mol. Its IUPAC name is (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
PubChem CID40580851
Molecular FormulaC28H29FN2O3S
Molecular Weight492.62 g/mol
Exact Mass492.19
IUPAC Name(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1
InChIInChI=1S/C28H29FN2O3S/c1-19(32)21-7-5-10-24(17-21)31(26(33)18-25-11-6-16-35-25)27(20-12-14-22(29)15-13-20)28(34)30-23-8-3-2-4-9-23/h5-7,10-17,23,27H,2-4,8-9,18H2,1H3,(H,30,34)/t27-/m1/s1
InChIKeyZOAIVFBLNOJIGA-HHHXNRCGSA-N
XLogP5.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 1167860
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202455
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3191107
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964
2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 122537155
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3191007
(2S)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide (CID 40580851) is (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide is CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The InChIKey is ZOAIVFBLNOJIGA-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H29FN2O3S/c1-19(32)21-7-5-10-24(17-21)31(26(33)18-25-11-6-16-35-25)27(20-12-14-22(29)15-13-20)28(34)30-23-8-3-2-4-9-23/h5-7,10-17,23,27H,2-4,8-9,18H2,1H3,(H,30,34)/t27-/m1/s1.
What are the key properties of (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide has a molecular weight of 492.62 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 40580851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).