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

C26H32N4O2S — CID 3191219

IUPACN-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCCC1)c1cn(C)nc1C
InChIInChI=1S/C26H32N4O2S/c1-18-10-7-8-14-23(18)30(24(31)16-21-13-9-15-33-21)25(22-17-29(3)28-19(22)2)26(32)27-20-11-5-4-6-12-20/h7-10,13-15,17,20,25H,4-6,11-12,16H2,1-3H3,(H,27,32)
InChIKeyJZKZZFHKPCZALX-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.86
Rot. Bonds7

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

N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3191219) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3191219
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCCC1)c1cn(C)nc1C
InChIInChI=1S/C26H32N4O2S/c1-18-10-7-8-14-23(18)30(24(31)16-21-13-9-15-33-21)25(22-17-29(3)28-19(22)2)26(32)27-20-11-5-4-6-12-20/h7-10,13-15,17,20,25H,4-6,11-12,16H2,1-3H3,(H,27,32)
InChIKeyJZKZZFHKPCZALX-UHFFFAOYSA-N
XLogP4.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.86
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-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3191219) is N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is Cc1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NC1CCCCC1)c1cn(C)nc1C.
What is the InChIKey of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is JZKZZFHKPCZALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-18-10-7-8-14-23(18)30(24(31)16-21-13-9-15-33-21)25(22-17-29(3)28-19(22)2)26(32)27-20-11-5-4-6-12-20/h7-10,13-15,17,20,25H,4-6,11-12,16H2,1-3H3,(H,27,32).
What are the key properties of N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 464.64 g/mol, XLogP of 4.86, 7 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-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3191219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).