N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide

C15H17N3O3S — CID 95903262

IUPACN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1ccco1
InChIInChI=1S/C15H17N3O3S/c19-13(17-9-11-3-1-7-21-11)10-18-6-5-16-15(20)14(18)12-4-2-8-22-12/h1-4,7-8,14H,5-6,9-10H2,(H,16,20)(H,17,19)/t14-/m1/s1
InChIKeyRAMIDHDKCIQBID-CQSZACIVSA-N
MW319.39 g/mol
LogP1.13
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide (PubChem CID 95903262) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
PubChem CID95903262
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1ccco1
InChIInChI=1S/C15H17N3O3S/c19-13(17-9-11-3-1-7-21-11)10-18-6-5-16-15(20)14(18)12-4-2-8-22-12/h1-4,7-8,14H,5-6,9-10H2,(H,16,20)(H,17,19)/t14-/m1/s1
InChIKeyRAMIDHDKCIQBID-CQSZACIVSA-N
XLogP1.13
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129166
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021
N-(furan-2-ylmethyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41014272
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95708264
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 129424931
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039064
2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 122137345
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903256
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide (CID 95903262) is N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide is O=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The InChIKey is RAMIDHDKCIQBID-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(17-9-11-3-1-7-21-11)10-18-6-5-16-15(20)14(18)12-4-2-8-22-12/h1-4,7-8,14H,5-6,9-10H2,(H,16,20)(H,17,19)/t14-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide is sourced from PubChem (CID 95903262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).