N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide

C19H24N2O2S — CID 35354735

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C19H24N2O2S/c22-19(15-24-16-8-3-1-4-9-16)20-14-17(18-10-7-13-23-18)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12,14-15H2,(H,20,22)/t17-/m1/s1
InChIKeyKKLLJNYEDKOUKU-QGZVFWFLSA-N
MW344.48 g/mol
LogP3.72
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide (PubChem CID 35354735) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
PubChem CID35354735
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C19H24N2O2S/c22-19(15-24-16-8-3-1-4-9-16)20-14-17(18-10-7-13-23-18)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12,14-15H2,(H,20,22)/t17-/m1/s1
InChIKeyKKLLJNYEDKOUKU-QGZVFWFLSA-N
XLogP3.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 8005581
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 7780244
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430213

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide (CID 35354735) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide?
The InChIKey is KKLLJNYEDKOUKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-19(15-24-16-8-3-1-4-9-16)20-14-17(18-10-7-13-23-18)21-11-5-2-6-12-21/h1,3-4,7-10,13,17H,2,5-6,11-12,14-15H2,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide has a molecular weight of 344.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 35354735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).