N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide

C19H24N2O2S — CID 131949045

IUPACN-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H24N2O2S/c1-2-24-18-8-4-3-7-17(18)20-19(22)15-9-11-21(12-10-15)14-16-6-5-13-23-16/h3-8,13,15H,2,9-12,14H2,1H3,(H,20,22)
InChIKeyCKVJZWXHHCLKRY-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.24
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide

N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 131949045) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID131949045
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCSc1ccccc1NC(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H24N2O2S/c1-2-24-18-8-4-3-7-17(18)20-19(22)15-9-11-21(12-10-15)14-16-6-5-13-23-16/h3-8,13,15H,2,9-12,14H2,1H3,(H,20,22)
InChIKeyCKVJZWXHHCLKRY-UHFFFAOYSA-N
XLogP4.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
N-(2-ethylsulfanylphenyl)cyclopentanecarboxamide
CID 94624117
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134698283
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 31126851
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821
N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28570527
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134702967

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 131949045) is N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide is CCSc1ccccc1NC(=O)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is CKVJZWXHHCLKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-24-18-8-4-3-7-17(18)20-19(22)15-9-11-21(12-10-15)14-16-6-5-13-23-16/h3-8,13,15H,2,9-12,14H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 131949045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).