N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide

C27H33FN2O6 — CID 11443421

IUPACN-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide
SMILESCC(C)OC1OC(=O)CC1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C27H33FN2O6/c1-16(2)34-27-21(15-24(31)36-27)30-25(32)20(13-17-7-4-3-5-8-17)29-26(33)23-12-11-22(35-23)18-9-6-10-19(28)14-18/h6,9-12,14,16-17,20-21,27H,3-5,7-8,13,15H2,1-2H3,(H,29,33)(H,30,32)/t20-,21?,27?/m0/s1
InChIKeyIOOXLEROUVTZOZ-HRNLXJSNSA-N
MW500.57 g/mol
LogP4.34
Rot. Bonds9

About N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide

N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 11443421) has the molecular formula C27H33FN2O6 and a molecular weight of 500.57 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide
PubChem CID11443421
Molecular FormulaC27H33FN2O6
Molecular Weight500.57 g/mol
Exact Mass500.23
IUPAC NameN-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide
SMILESCC(C)OC1OC(=O)CC1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C27H33FN2O6/c1-16(2)34-27-21(15-24(31)36-27)30-25(32)20(13-17-7-4-3-5-8-17)29-26(33)23-12-11-22(35-23)18-9-6-10-19(28)14-18/h6,9-12,14,16-17,20-21,27H,3-5,7-8,13,15H2,1-2H3,(H,29,33)(H,30,32)/t20-,21?,27?/m0/s1
InChIKeyIOOXLEROUVTZOZ-HRNLXJSNSA-N
XLogP4.34
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide (CID 11443421) is N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide is CC(C)OC1OC(=O)CC1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is IOOXLEROUVTZOZ-HRNLXJSNSA-N. The full InChI is InChI=1S/C27H33FN2O6/c1-16(2)34-27-21(15-24(31)36-27)30-25(32)20(13-17-7-4-3-5-8-17)29-26(33)23-12-11-22(35-23)18-9-6-10-19(28)14-18/h6,9-12,14,16-17,20-21,27H,3-5,7-8,13,15H2,1-2H3,(H,29,33)(H,30,32)/t20-,21?,27?/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide?
N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 500.57 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-oxo-1-[(5-oxo-2-propan-2-yloxyoxolan-3-yl)amino]propan-2-yl]-5-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 11443421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).