N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide

C19H27F3N2O3S — CID 3216563

IUPACN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide
SMILESCCOCCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C19H27F3N2O3S/c1-2-27-12-7-11-24(18(26)19(20,21)22)16(15-10-6-13-28-15)17(25)23-14-8-4-3-5-9-14/h6,10,13-14,16H,2-5,7-9,11-12H2,1H3,(H,23,25)
InChIKeyMQCWSBDIRWOIKW-UHFFFAOYSA-N
MW420.50 g/mol
LogP4.06
Rot. Bonds9

About N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide (PubChem CID 3216563) has the molecular formula C19H27F3N2O3S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide
PubChem CID3216563
Molecular FormulaC19H27F3N2O3S
Molecular Weight420.50 g/mol
Exact Mass420.17
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide
SMILESCCOCCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C19H27F3N2O3S/c1-2-27-12-7-11-24(18(26)19(20,21)22)16(15-10-6-13-28-15)17(25)23-14-8-4-3-5-9-14/h6,10,13-14,16H,2-5,7-9,11-12H2,1H3,(H,23,25)
InChIKeyMQCWSBDIRWOIKW-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tenilsetam
CID 65649
N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(thiophen-2-ylacetyl)amino]acetamide
CID 4029195
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimethylamino)ethylamino)-2-(thiophen-2-yl)acetamide
CID 44413137
4-(2-Hydroxyethyl)-3-(thiophen-2-yl)-3,4,5,6-tetrahydropyrazin-2-ol
CID 3070021
N~2~-acetyl-N-{2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-(thiophen-2-ylmethyl)glycinamide
CID 4001602
N~2~-acetyl-N-{2-[(3-ethoxypropyl)amino]-2-oxo-1-phenylethyl}-N-(thiophen-2-ylmethyl)glycinamide
CID 4270191
N-(3-ethoxypropyl)-2-phenyl-2-[(thien-2-ylacetyl)amino]acetamide
CID 4386911
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]-2-(thiophen-2-YL)acetamide
CID 3237199
N-{2-[(3-isopropoxypropyl)amino]-2-oxoethyl}thiophene-2-carboxamide
CID 3237893
N-cyclohexyl-N~2~-(thiophen-2-ylacetyl)-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4030882
2-[acetyl(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-methylbutanamide
CID 4535556
N-cyclohexyl-3-methyl-2-[(thiophen-2-yl)formamido]butanamide
CID 2936145

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide (CID 3216563) is N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide is CCOCCCN(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide?
The InChIKey is MQCWSBDIRWOIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O3S/c1-2-27-12-7-11-24(18(26)19(20,21)22)16(15-10-6-13-28-15)17(25)23-14-8-4-3-5-9-14/h6,10,13-14,16H,2-5,7-9,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide?
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide has a molecular weight of 420.50 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-ethoxypropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3216563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).