(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide

C28H32N2O4S — CID 1168242

IUPAC(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
SMILESCCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H32N2O4S/c1-2-34-24-16-12-22(13-17-24)30(26(32)19-25-9-6-18-35-25)27(20-10-14-23(31)15-11-20)28(33)29-21-7-4-3-5-8-21/h6,9-18,21,27,31H,2-5,7-8,19H2,1H3,(H,29,33)/t27-/m1/s1
InChIKeyJTBIUAMUNNJXHX-HHHXNRCGSA-N
MW492.64 g/mol
LogP5.62
Rot. Bonds9

About (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide

(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 1168242) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
PubChem CID1168242
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC Name(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
SMILESCCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H32N2O4S/c1-2-34-24-16-12-22(13-17-24)30(26(32)19-25-9-6-18-35-25)27(20-10-14-23(31)15-11-20)28(33)29-21-7-4-3-5-8-21/h6,9-18,21,27,31H,2-5,7-8,19H2,1H3,(H,29,33)/t27-/m1/s1
InChIKeyJTBIUAMUNNJXHX-HHHXNRCGSA-N
XLogP5.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)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

(2S)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethoxyphenyl)acetamide
CID 98097807
(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168246
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202552
2-(4-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 3184889
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
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-methylphenyl)acetamide
CID 3202897
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide (CID 1168242) is (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide is CCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is JTBIUAMUNNJXHX-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-2-34-24-16-12-22(13-17-24)30(26(32)19-25-9-6-18-35-25)27(20-10-14-23(31)15-11-20)28(33)29-21-7-4-3-5-8-21/h6,9-18,21,27,31H,2-5,7-8,19H2,1H3,(H,29,33)/t27-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 492.64 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 1168242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).