(2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide

C24H30N4O3S — CID 142065876

IUPAC(2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide
SMILESNC(=O)[C@H](Cc1cccs1)CC(O)CN1CCN(Cc2ccc(-c3ccccn3)o2)CC1
InChIInChI=1S/C24H30N4O3S/c25-24(30)18(15-21-4-3-13-32-21)14-19(29)16-27-9-11-28(12-10-27)17-20-6-7-23(31-20)22-5-1-2-8-26-22/h1-8,13,18-19,29H,9-12,14-17H2,(H2,25,30)/t18-,19?/m0/s1
InChIKeyDIIFSFNYRZZXNT-OYKVQYDMSA-N
MW454.60 g/mol
LogP2.62
Rot. Bonds10

About (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide

(2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide (PubChem CID 142065876) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide
PubChem CID142065876
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name(2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide
SMILESNC(=O)[C@H](Cc1cccs1)CC(O)CN1CCN(Cc2ccc(-c3ccccn3)o2)CC1
InChIInChI=1S/C24H30N4O3S/c25-24(30)18(15-21-4-3-13-32-21)14-19(29)16-27-9-11-28(12-10-27)17-20-6-7-23(31-20)22-5-1-2-8-26-22/h1-8,13,18-19,29H,9-12,14-17H2,(H2,25,30)/t18-,19?/m0/s1
InChIKeyDIIFSFNYRZZXNT-OYKVQYDMSA-N
XLogP2.62
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

acetylene;(2S)-5-[4-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]-2-(furo[2,3-c]pyridin-2-ylmethyl)-4-hydroxypentanamide;3,4-dihydro-2H-chromene;N-(2,2,2-trifluoroethyl)formamide
CID 142189533
(2R)-1-[4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 133486328
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 94489097
(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59108578
2-(thiophen-2-ylmethyl)hexanediamide
CID 118309928
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
N-(4-amino-3,4-dioxo-1-thiophen-2-ylbutan-2-yl)-4-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 153386125
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265
2-amino-2-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 119834072
3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 51495353

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide (CID 142065876) is (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide is NC(=O)[C@H](Cc1cccs1)CC(O)CN1CCN(Cc2ccc(-c3ccccn3)o2)CC1.
What is the InChIKey of (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is DIIFSFNYRZZXNT-OYKVQYDMSA-N. The full InChI is InChI=1S/C24H30N4O3S/c25-24(30)18(15-21-4-3-13-32-21)14-19(29)16-27-9-11-28(12-10-27)17-20-6-7-23(31-20)22-5-1-2-8-26-22/h1-8,13,18-19,29H,9-12,14-17H2,(H2,25,30)/t18-,19?/m0/s1.
What are the key properties of (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide?
(2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 454.60 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-5-[4-[(5-pyridin-2-ylfuran-2-yl)methyl]piperazin-1-yl]-2-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 142065876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).