(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

C19H25N3O2S — CID 31126851

IUPAC(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15(19(23)20-17-7-3-4-8-18(17)25-2)22-11-9-21(10-12-22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyIYRQITPOVAGDSE-HNNXBMFYSA-N
MW359.50 g/mol
LogP3.15
Rot. Bonds6

About (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 31126851) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
PubChem CID31126851
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15(19(23)20-17-7-3-4-8-18(17)25-2)22-11-9-21(10-12-22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyIYRQITPOVAGDSE-HNNXBMFYSA-N
XLogP3.15
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 138038518
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30620235
N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
CID 86928259
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
(2R)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 30642247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide (CID 31126851) is (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)[C@H](C)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is IYRQITPOVAGDSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15(19(23)20-17-7-3-4-8-18(17)25-2)22-11-9-21(10-12-22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide?
(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 31126851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).