ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate

C22H25FN2O5S2 — CID 55413880

IUPACethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O5S2/c1-2-30-22(27)19-18(14-5-6-14)13-31-21(19)24-20(26)15-4-3-11-25(12-15)32(28,29)17-9-7-16(23)8-10-17/h7-10,13-15H,2-6,11-12H2,1H3,(H,24,26)
InChIKeyPJTMGFVHHZXXHV-UHFFFAOYSA-N
MW480.58 g/mol
LogP3.98
Rot. Bonds7

About ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 55413880) has the molecular formula C22H25FN2O5S2 and a molecular weight of 480.58 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID55413880
Molecular FormulaC22H25FN2O5S2
Molecular Weight480.58 g/mol
Exact Mass480.12
IUPAC Nameethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H25FN2O5S2/c1-2-30-22(27)19-18(14-5-6-14)13-31-21(19)24-20(26)15-4-3-11-25(12-15)32(28,29)17-9-7-16(23)8-10-17/h7-10,13-15H,2-6,11-12H2,1H3,(H,24,26)
InChIKeyPJTMGFVHHZXXHV-UHFFFAOYSA-N
XLogP3.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate 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

ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16861586
ethyl 3-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-methylbenzoate
CID 100669500
ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbenzoate
CID 133168230
ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862934
ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 55630530
ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16861535
diethyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16861579
ethyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862935
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
propyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 46616093
ethyl 3-carbamoyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 16861697
ethyl 4-cyclopropyl-2-[[2-(4-fluorobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2627168

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (CID 55413880) is ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is PJTMGFVHHZXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5S2/c1-2-30-22(27)19-18(14-5-6-14)13-31-21(19)24-20(26)15-4-3-11-25(12-15)32(28,29)17-9-7-16(23)8-10-17/h7-10,13-15H,2-6,11-12H2,1H3,(H,24,26).
What are the key properties of ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 480.58 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55413880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).