N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide

C20H24ClFN2O5 — CID 143593750

IUPACN-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide
SMILESCC1(C[C@H](NC(=O)c2ccc(Cl)o2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CCCC1
InChIInChI=1S/C20H24ClFN2O5/c1-20(6-2-3-7-20)8-12(23-18(26)14-4-5-15(21)29-14)19(27)24-9-11(22)17-16(24)13(25)10-28-17/h4-5,11-12,16-17H,2-3,6-10H2,1H3,(H,23,26)/t11-,12-,16+,17+/m0/s1
InChIKeyOQBSDHLALMGHBL-IYVPYFHTSA-N
MW426.87 g/mol
LogP2.52
Rot. Bonds5

About N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide

N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide (PubChem CID 143593750) has the molecular formula C20H24ClFN2O5 and a molecular weight of 426.87 g/mol. Its IUPAC name is N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide
PubChem CID143593750
Molecular FormulaC20H24ClFN2O5
Molecular Weight426.87 g/mol
Exact Mass426.14
IUPAC NameN-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide
SMILESCC1(C[C@H](NC(=O)c2ccc(Cl)o2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CCCC1
InChIInChI=1S/C20H24ClFN2O5/c1-20(6-2-3-7-20)8-12(23-18(26)14-4-5-15(21)29-14)19(27)24-9-11(22)17-16(24)13(25)10-28-17/h4-5,11-12,16-17H,2-3,6-10H2,1H3,(H,23,26)/t11-,12-,16+,17+/m0/s1
InChIKeyOQBSDHLALMGHBL-IYVPYFHTSA-N
XLogP2.52
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide (CID 143593750) is N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide is CC1(C[C@H](NC(=O)c2ccc(Cl)o2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CCCC1.
What is the InChIKey of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide?
The InChIKey is OQBSDHLALMGHBL-IYVPYFHTSA-N. The full InChI is InChI=1S/C20H24ClFN2O5/c1-20(6-2-3-7-20)8-12(23-18(26)14-4-5-15(21)29-14)19(27)24-9-11(22)17-16(24)13(25)10-28-17/h4-5,11-12,16-17H,2-3,6-10H2,1H3,(H,23,26)/t11-,12-,16+,17+/m0/s1.
What are the key properties of N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide?
N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide has a molecular weight of 426.87 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 143593750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).