N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

C27H31N3O3S — CID 3191107

IUPACN-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C27H31N3O3S/c1-2-33-23-11-6-10-22(18-23)30(25(31)19-24-12-7-17-34-24)26(20-13-15-28-16-14-20)27(32)29-21-8-4-3-5-9-21/h6-7,10-18,21,26H,2-5,8-9,19H2,1H3,(H,29,32)
InChIKeyCUQLKUKUPIKPJY-UHFFFAOYSA-N
MW477.63 g/mol
LogP5.31
Rot. Bonds9

About N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3191107) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3191107
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC NameN-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C27H31N3O3S/c1-2-33-23-11-6-10-22(18-23)30(25(31)19-24-12-7-17-34-24)26(20-13-15-28-16-14-20)27(32)29-21-8-4-3-5-9-21/h6-7,10-18,21,26H,2-5,8-9,19H2,1H3,(H,29,32)
InChIKeyCUQLKUKUPIKPJY-UHFFFAOYSA-N
XLogP5.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 1458374
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202609
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168242
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1167775
(2S)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethoxyphenyl)acetamide
CID 98097807
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3191107) is N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is CCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccncc2)c1.
What is the InChIKey of N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is CUQLKUKUPIKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-2-33-23-11-6-10-22(18-23)30(25(31)19-24-12-7-17-34-24)26(20-13-15-28-16-14-20)27(32)29-21-8-4-3-5-9-21/h6-7,10-18,21,26H,2-5,8-9,19H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide has a molecular weight of 477.63 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3191107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).