N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide

C19H24N2O2S — CID 2456837

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C19H24N2O2S/c1-24-18-10-4-3-8-15(18)19(22)20-14-16(17-9-7-13-23-17)21-11-5-2-6-12-21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyHHEOKHQGQBIYIA-INIZCTEOSA-N
MW344.48 g/mol
LogP3.96
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide (PubChem CID 2456837) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
PubChem CID2456837
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C19H24N2O2S/c1-24-18-10-4-3-8-15(18)19(22)20-14-16(17-9-7-13-23-17)21-11-5-2-6-12-21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyHHEOKHQGQBIYIA-INIZCTEOSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
2-ethoxy-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 4878101
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide (CID 2456837) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide?
The InChIKey is HHEOKHQGQBIYIA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-24-18-10-4-3-8-15(18)19(22)20-14-16(17-9-7-13-23-17)21-11-5-2-6-12-21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide has a molecular weight of 344.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 2456837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).