N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H23FN2O2S2 — CID 8744694

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccccc1F)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H23FN2O2S2/c21-17-5-2-1-4-16(17)14-26-13-9-22-19(24)15-7-10-23(11-8-15)20(25)18-6-3-12-27-18/h1-6,12,15H,7-11,13-14H2,(H,22,24)
InChIKeyKNXVNUQLFDUYEZ-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.79
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 8744694) has the molecular formula C20H23FN2O2S2 and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID8744694
Molecular FormulaC20H23FN2O2S2
Molecular Weight406.55 g/mol
Exact Mass406.12
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCSCc1ccccc1F)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H23FN2O2S2/c21-17-5-2-1-4-16(17)14-26-13-9-22-19(24)15-7-10-23(11-8-15)20(25)18-6-3-12-27-18/h1-6,12,15H,7-11,13-14H2,(H,22,24)
InChIKeyKNXVNUQLFDUYEZ-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 55622930
1-(benzenesulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 92535844
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9069109
N-[3-(cyclopropylmethoxy)propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18120928
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 8744694) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCCSCc1ccccc1F)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KNXVNUQLFDUYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S2/c21-17-5-2-1-4-16(17)14-26-13-9-22-19(24)15-7-10-23(11-8-15)20(25)18-6-3-12-27-18/h1-6,12,15H,7-11,13-14H2,(H,22,24).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 8744694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).