2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide

C26H29N3O2S — CID 3191114

IUPAC2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C26H29N3O2S/c30-24(18-23-12-7-17-32-23)29(19-20-8-3-1-4-9-20)25(21-13-15-27-16-14-21)26(31)28-22-10-5-2-6-11-22/h1,3-4,7-9,12-17,22,25H,2,5-6,10-11,18-19H2,(H,28,31)
InChIKeyVEPCDZIJVZTCSV-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.90
Rot. Bonds8

About 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide

2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide (PubChem CID 3191114) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
PubChem CID3191114
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC Name2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C26H29N3O2S/c30-24(18-23-12-7-17-32-23)29(19-20-8-3-1-4-9-20)25(21-13-15-27-16-14-21)26(31)28-22-10-5-2-6-11-22/h1,3-4,7-9,12-17,22,25H,2,5-6,10-11,18-19H2,(H,28,31)
InChIKeyVEPCDZIJVZTCSV-UHFFFAOYSA-N
XLogP4.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 1437713
(2S)-2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 1437711
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3745052
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
N-cyclopentyl-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3202578
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide
CID 3191151
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202445
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202922
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide?
The IUPAC name of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide (CID 3191114) is 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide is O=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide?
The InChIKey is VEPCDZIJVZTCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c30-24(18-23-12-7-17-32-23)29(19-20-8-3-1-4-9-20)25(21-13-15-27-16-14-21)26(31)28-22-10-5-2-6-11-22/h1,3-4,7-9,12-17,22,25H,2,5-6,10-11,18-19H2,(H,28,31).
What are the key properties of 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide?
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide has a molecular weight of 447.60 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3191114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).