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

C20H23FN2O5S2 — CID 30267747

IUPACethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H23FN2O5S2/c1-2-28-20(25)15-9-11-22(12-10-15)18(24)14-23(17-7-5-16(21)6-8-17)30(26,27)19-4-3-13-29-19/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyFKARWVVPEVZBCQ-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.88
Rot. Bonds7

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

ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 30267747) has the molecular formula C20H23FN2O5S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
PubChem CID30267747
Molecular FormulaC20H23FN2O5S2
Molecular Weight454.55 g/mol
Exact Mass454.10
IUPAC Nameethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H23FN2O5S2/c1-2-28-20(25)15-9-11-22(12-10-15)18(24)14-23(17-7-5-16(21)6-8-17)30(26,27)19-4-3-13-29-19/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyFKARWVVPEVZBCQ-UHFFFAOYSA-N
XLogP2.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 43900929
ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
CID 23769142
ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 30267650
ethyl 1-[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076440
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30268780
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
ethyl 1-[2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901401
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate (CID 30267747) is ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is FKARWVVPEVZBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S2/c1-2-28-20(25)15-9-11-22(12-10-15)18(24)14-23(17-7-5-16(21)6-8-17)30(26,27)19-4-3-13-29-19/h3-8,13,15H,2,9-12,14H2,1H3.
What are the key properties of ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 454.55 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 30267747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).