2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide

C23H30FN3O6S — CID 655171

IUPAC2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O6S/c1-2-5-21(23(29)25-14-18-6-3-12-32-18)27(16-19-7-4-13-33-19)22(28)15-26-34(30,31)20-10-8-17(24)9-11-20/h4,7-11,13,18,21,26H,2-3,5-6,12,14-16H2,1H3,(H,25,29)
InChIKeyWEKOQKBWFZBHTC-UHFFFAOYSA-N
MW495.57 g/mol
LogP2.19
Rot. Bonds12

About 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide

2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 655171) has the molecular formula C23H30FN3O6S and a molecular weight of 495.57 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID655171
Molecular FormulaC23H30FN3O6S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC Name2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O6S/c1-2-5-21(23(29)25-14-18-6-3-12-32-18)27(16-19-7-4-13-33-19)22(28)15-26-34(30,31)20-10-8-17(24)9-11-20/h4,7-11,13,18,21,26H,2-3,5-6,12,14-16H2,1H3,(H,25,29)
InChIKeyWEKOQKBWFZBHTC-UHFFFAOYSA-N
XLogP2.19
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide with MolForge

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Related Compounds

(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807529
2-[Ethyl-(4-methoxy-benzenesulfonyl)-amino]-N-furan-2-ylmethyl-acetamide
CID 6493385
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
N-(2-cyanoethyl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60651720
N1-(furan-2-ylmethyl)-N2-((3-((4-methoxyphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 16194817
2-[(2-Benzenesulfonylamino-acetyl)-furan-2-ylmethyl-amino]-pentanoic acid cyclohexylamide
CID 646714
2-Benzenesulfonylamino-N-[(4-fluoro-benzylcarbamoyl)-methyl]-N-furan-2-ylmethyl-acetamide
CID 650385
2-{[2-(4-Chloro-benzenesulfonylamino)-acetyl]-cyclopentyl-amino}-pentanoic acid (furan-2-ylmethyl)-amide
CID 651088

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide (CID 655171) is 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide is CCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is WEKOQKBWFZBHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O6S/c1-2-5-21(23(29)25-14-18-6-3-12-32-18)27(16-19-7-4-13-33-19)22(28)15-26-34(30,31)20-10-8-17(24)9-11-20/h4,7-11,13,18,21,26H,2-3,5-6,12,14-16H2,1H3,(H,25,29).
What are the key properties of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 495.57 g/mol, XLogP of 2.19, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 655171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).