N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide

C26H28N2O2S — CID 3215268

IUPACN-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-24(18-20-16-17-31-19-20)28(23-14-8-3-9-15-23)25(21-10-4-1-5-11-21)26(30)27-22-12-6-2-7-13-22/h1,3-5,8-11,14-17,19,22,25H,2,6-7,12-13,18H2,(H,27,30)
InChIKeyMESLEGRAQKZXDF-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.51
Rot. Bonds7

About N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide

N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide (PubChem CID 3215268) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide
PubChem CID3215268
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C26H28N2O2S/c29-24(18-20-16-17-31-19-20)28(23-14-8-3-9-15-23)25(21-10-4-1-5-11-21)26(30)27-22-12-6-2-7-13-22/h1,3-5,8-11,14-17,19,22,25H,2,6-7,12-13,18H2,(H,27,30)
InChIKeyMESLEGRAQKZXDF-UHFFFAOYSA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide (CID 3215268) is N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1ccsc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The InChIKey is MESLEGRAQKZXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c29-24(18-20-16-17-31-19-20)28(23-14-8-3-9-15-23)25(21-10-4-1-5-11-21)26(30)27-22-12-6-2-7-13-22/h1,3-5,8-11,14-17,19,22,25H,2,6-7,12-13,18H2,(H,27,30).
What are the key properties of N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide?
N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide has a molecular weight of 432.59 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-2-(N-(2-thiophen-3-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3215268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).