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

C21H24FN3O3S — CID 3211290

IUPACN-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1)NC1CCCCC1
InChIInChI=1S/C21H24FN3O3S/c22-15-6-4-9-17(12-15)25(14-19(26)24-16-7-2-1-3-8-16)20(27)13-23-21(28)18-10-5-11-29-18/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,23,28)(H,24,26)
InChIKeyQQAGXUVGTRATMD-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.10
Rot. Bonds7

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

N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211290) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211290
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC NameN-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1)NC1CCCCC1
InChIInChI=1S/C21H24FN3O3S/c22-15-6-4-9-17(12-15)25(14-19(26)24-16-7-2-1-3-8-16)20(27)13-23-21(28)18-10-5-11-29-18/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,23,28)(H,24,26)
InChIKeyQQAGXUVGTRATMD-UHFFFAOYSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-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

N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3691071
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[2-(N-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3210955
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
CID 1465576
2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 122537155
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-indazol-1-ylpropanamide
CID 1433423
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-cyclohexyl-2-(N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]-3-methylanilino)acetamide
CID 3182279
N-[2-(N-[2-(tert-butylamino)-2-oxoethyl]-4-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215649
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211053
N-[2-(N-[2-(tert-butylamino)-2-oxoethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215630

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211290) is N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CN(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1)NC1CCCCC1.
What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is QQAGXUVGTRATMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-15-6-4-9-17(12-15)25(14-19(26)24-16-7-2-1-3-8-16)20(27)13-23-21(28)18-10-5-11-29-18/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,23,28)(H,24,26).
What are the key properties of N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.10, 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-fluoroanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).