N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide

C22H24F3N3O3S — CID 3211299

IUPACN-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C22H24F3N3O3S/c23-22(24,25)15-6-4-9-17(12-15)28(14-19(29)27-16-7-2-1-3-8-16)20(30)13-26-21(31)18-10-5-11-32-18/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,26,31)(H,27,29)
InChIKeyDMLIWSCYTPJXCY-UHFFFAOYSA-N
MW467.51 g/mol
LogP3.98
Rot. Bonds7

About N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211299) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211299
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC NameN-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C22H24F3N3O3S/c23-22(24,25)15-6-4-9-17(12-15)28(14-19(29)27-16-7-2-1-3-8-16)20(30)13-26-21(31)18-10-5-11-32-18/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,26,31)(H,27,29)
InChIKeyDMLIWSCYTPJXCY-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Verosudil
CID 66906051
Thiofuranylfentanyl
CID 137700027
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-2-thiophenecarboxamide
CID 4204024
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
CID 155567775
2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-7-yl)-2-thiophen-3-ylacetamide
CID 162645243
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211299) is N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(C(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DMLIWSCYTPJXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c23-22(24,25)15-6-4-9-17(12-15)28(14-19(29)27-16-7-2-1-3-8-16)20(30)13-26-21(31)18-10-5-11-32-18/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,26,31)(H,27,29).
What are the key properties of N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[2-(cyclohexylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).