N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide

C26H36N2O5S — CID 3202329

IUPACN-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C26H36N2O5S/c1-4-33-16-9-15-28(26(30)23-12-8-17-34-23)24(25(29)27-19-10-6-5-7-11-19)21-14-13-20(31-2)18-22(21)32-3/h8,12-14,17-19,24H,4-7,9-11,15-16H2,1-3H3,(H,27,29)
InChIKeyABQWHHAHEGEBMQ-UHFFFAOYSA-N
MW488.65 g/mol
LogP4.82
Rot. Bonds12

About N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide

N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide (PubChem CID 3202329) has the molecular formula C26H36N2O5S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
PubChem CID3202329
Molecular FormulaC26H36N2O5S
Molecular Weight488.65 g/mol
Exact Mass488.23
IUPAC NameN-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C26H36N2O5S/c1-4-33-16-9-15-28(26(30)23-12-8-17-34-23)24(25(29)27-19-10-6-5-7-11-19)21-14-13-20(31-2)18-22(21)32-3/h8,12-14,17-19,24H,4-7,9-11,15-16H2,1-3H3,(H,27,29)
InChIKeyABQWHHAHEGEBMQ-UHFFFAOYSA-N
XLogP4.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202615
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
CID 25310056
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191075
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202397
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3202308
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 3197921
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 98102489
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 98102920
N-[(1R)-2-(cyclohexylamino)-1-(2,5-dimethoxyphenyl)-2-oxoethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083847
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 3202751
N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 3202382

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide (CID 3202329) is N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide is CCOCCCN(C(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The InChIKey is ABQWHHAHEGEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5S/c1-4-33-16-9-15-28(26(30)23-12-8-17-34-23)24(25(29)27-19-10-6-5-7-11-19)21-14-13-20(31-2)18-22(21)32-3/h8,12-14,17-19,24H,4-7,9-11,15-16H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide?
N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide has a molecular weight of 488.65 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 3202329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).