1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide

C18H20FN3O4S2 — CID 30267650

IUPAC1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20FN3O4S2/c19-14-4-1-2-5-15(14)22(28(25,26)17-6-3-11-27-17)12-16(23)21-9-7-13(8-10-21)18(20)24/h1-6,11,13H,7-10,12H2,(H2,20,24)
InChIKeyCFQRXOGGGNZDGX-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.81
Rot. Bonds6

About 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide

1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide (PubChem CID 30267650) has the molecular formula C18H20FN3O4S2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide
PubChem CID30267650
Molecular FormulaC18H20FN3O4S2
Molecular Weight425.51 g/mol
Exact Mass425.09
IUPAC Name1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H20FN3O4S2/c19-14-4-1-2-5-15(14)22(28(25,26)17-6-3-11-27-17)12-16(23)21-9-7-13(8-10-21)18(20)24/h1-6,11,13H,7-10,12H2,(H2,20,24)
InChIKeyCFQRXOGGGNZDGX-UHFFFAOYSA-N
XLogP1.81
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]piperidine-4-carboxamide
CID 30267622
1-[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]piperidine-4-carboxamide
CID 92684224
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 43900928
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 30273131
ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 30267747
N-cyclopentyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256064
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
N-(2-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 17398452
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide (CID 30267650) is 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide?
The InChIKey is CFQRXOGGGNZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S2/c19-14-4-1-2-5-15(14)22(28(25,26)17-6-3-11-27-17)12-16(23)21-9-7-13(8-10-21)18(20)24/h1-6,11,13H,7-10,12H2,(H2,20,24).
What are the key properties of 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide?
1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 30267650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).