N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C28H36N4O2S — CID 3191218

IUPACN-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C28H36N4O2S/c1-19(2)21-12-14-23(15-13-21)32(26(33)17-24-11-8-16-35-24)27(25-18-31(4)30-20(25)3)28(34)29-22-9-6-5-7-10-22/h8,11-16,18-19,22,27H,5-7,9-10,17H2,1-4H3,(H,29,34)
InChIKeyGPLHSLYYVYUIIU-UHFFFAOYSA-N
MW492.69 g/mol
LogP5.68
Rot. Bonds8

About N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3191218) has the molecular formula C28H36N4O2S and a molecular weight of 492.69 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3191218
Molecular FormulaC28H36N4O2S
Molecular Weight492.69 g/mol
Exact Mass492.26
IUPAC NameN-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C28H36N4O2S/c1-19(2)21-12-14-23(15-13-21)32(26(33)17-24-11-8-16-35-24)27(25-18-31(4)30-20(25)3)28(34)29-22-9-6-5-7-10-22/h8,11-16,18-19,22,27H,5-7,9-10,17H2,1-4H3,(H,29,34)
InChIKeyGPLHSLYYVYUIIU-UHFFFAOYSA-N
XLogP5.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.69
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3191218) is N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is Cc1nn(C)cc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is GPLHSLYYVYUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2S/c1-19(2)21-12-14-23(15-13-21)32(26(33)17-24-11-8-16-35-24)27(25-18-31(4)30-20(25)3)28(34)29-22-9-6-5-7-10-22/h8,11-16,18-19,22,27H,5-7,9-10,17H2,1-4H3,(H,29,34).
What are the key properties of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 492.69 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(4-propan-2-yl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3191218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).