N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide

C25H29FN2O6 — CID 58999666

IUPACN-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide
SMILESCCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@H](CC1CCCC1)NC(=O)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C25H29FN2O6/c1-2-32-25-19(14-22(29)34-25)28-23(30)18(12-15-6-3-4-7-15)27-24(31)21-11-10-20(33-21)16-8-5-9-17(26)13-16/h5,8-11,13,15,18-19,25H,2-4,6-7,12,14H2,1H3,(H,27,31)(H,28,30)/t18-,19-,25+/m0/s1
InChIKeyHXPHBZUPEQCNHF-XHNVNVPESA-N
MW472.51 g/mol
LogP3.56
Rot. Bonds9

About N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide

N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 58999666) has the molecular formula C25H29FN2O6 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide
PubChem CID58999666
Molecular FormulaC25H29FN2O6
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC NameN-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide
SMILESCCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@H](CC1CCCC1)NC(=O)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C25H29FN2O6/c1-2-32-25-19(14-22(29)34-25)28-23(30)18(12-15-6-3-4-7-15)27-24(31)21-11-10-20(33-21)16-8-5-9-17(26)13-16/h5,8-11,13,15,18-19,25H,2-4,6-7,12,14H2,1H3,(H,27,31)(H,28,30)/t18-,19-,25+/m0/s1
InChIKeyHXPHBZUPEQCNHF-XHNVNVPESA-N
XLogP3.56
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide (CID 58999666) is N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide is CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@H](CC1CCCC1)NC(=O)c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is HXPHBZUPEQCNHF-XHNVNVPESA-N. The full InChI is InChI=1S/C25H29FN2O6/c1-2-32-25-19(14-22(29)34-25)28-23(30)18(12-15-6-3-4-7-15)27-24(31)21-11-10-20(33-21)16-8-5-9-17(26)13-16/h5,8-11,13,15,18-19,25H,2-4,6-7,12,14H2,1H3,(H,27,31)(H,28,30)/t18-,19-,25+/m0/s1.
What are the key properties of N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclopentyl-1-[[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 58999666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).