N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C25H25ClN2O4S — CID 46820076

IUPACN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C25H25ClN2O4S/c1-2-31-19-6-8-20(9-7-19)32-22-10-5-18(26)16-21(22)27-24(29)17-11-13-28(14-12-17)25(30)23-4-3-15-33-23/h3-10,15-17H,2,11-14H2,1H3,(H,27,29)
InChIKeyPQQCDPALZGESPL-UHFFFAOYSA-N
MW485.01 g/mol
LogP6.08
Rot. Bonds7

About N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46820076) has the molecular formula C25H25ClN2O4S and a molecular weight of 485.01 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID46820076
Molecular FormulaC25H25ClN2O4S
Molecular Weight485.01 g/mol
Exact Mass484.12
IUPAC NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C25H25ClN2O4S/c1-2-31-19-6-8-20(9-7-19)32-22-10-5-18(26)16-21(22)27-24(29)17-11-13-28(14-12-17)25(30)23-4-3-15-33-23/h3-10,15-17H,2,11-14H2,1H3,(H,27,29)
InChIKeyPQQCDPALZGESPL-UHFFFAOYSA-N
XLogP6.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.01
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46690243
N-(5-tert-butyl-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 7579593
(3S)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52577868
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
2-(4-ethoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108553957
diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46820076) is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PQQCDPALZGESPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4S/c1-2-31-19-6-8-20(9-7-19)32-22-10-5-18(26)16-21(22)27-24(29)17-11-13-28(14-12-17)25(30)23-4-3-15-33-23/h3-10,15-17H,2,11-14H2,1H3,(H,27,29).
What are the key properties of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).