N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide

C17H18F3N3O3S — CID 171788475

IUPACN-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C(F)(F)F)cc1C(NC1CCC(=O)NC1=O)=C1CCC1
InChIInChI=1S/C17H18F3N3O3S/c1-8(24)21-16-10(7-12(27-16)17(18,19)20)14(9-3-2-4-9)22-11-5-6-13(25)23-15(11)26/h7,11,22H,2-6H2,1H3,(H,21,24)(H,23,25,26)
InChIKeyFRHPCIMEZJRMQM-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.02
Rot. Bonds4

About N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide

N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide (PubChem CID 171788475) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
PubChem CID171788475
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC NameN-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C(F)(F)F)cc1C(NC1CCC(=O)NC1=O)=C1CCC1
InChIInChI=1S/C17H18F3N3O3S/c1-8(24)21-16-10(7-12(27-16)17(18,19)20)14(9-3-2-4-9)22-11-5-6-13(25)23-15(11)26/h7,11,22H,2-6H2,1H3,(H,21,24)(H,23,25,26)
InChIKeyFRHPCIMEZJRMQM-UHFFFAOYSA-N
XLogP3.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156745068
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 172831605
(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 166390844
(2S)-1-acetyl-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 166390845
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
3-[(5-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720392
N-(2,6-dioxopiperidin-3-yl)-5-methyl-2-(methylamino)thiophene-3-carboxamide
CID 169660482
3-[(5-Methylthiophen-2-yl)amino]piperidine-2,6-dione
CID 169863347
5-acetamido-4-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-N-methylthiophene-2-carboxamide
CID 171788960

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide (CID 171788475) is N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide is CC(=O)Nc1sc(C(F)(F)F)cc1C(NC1CCC(=O)NC1=O)=C1CCC1.
What is the InChIKey of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide?
The InChIKey is FRHPCIMEZJRMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-8(24)21-16-10(7-12(27-16)17(18,19)20)14(9-3-2-4-9)22-11-5-6-13(25)23-15(11)26/h7,11,22H,2-6H2,1H3,(H,21,24)(H,23,25,26).
What are the key properties of N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide?
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 171788475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).