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

C23H34FN3O5S — CID 3207004

IUPACN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H34FN3O5S/c1-2-6-21(23(29)26-18-7-3-4-8-18)27(16-19-9-5-14-32-19)22(28)15-25-33(30,31)20-12-10-17(24)11-13-20/h10-13,18-19,21,25H,2-9,14-16H2,1H3,(H,26,29)
InChIKeyIQNCKRUHUUESRM-UHFFFAOYSA-N
MW483.61 g/mol
LogP2.34
Rot. Bonds11

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

N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide (PubChem CID 3207004) has the molecular formula C23H34FN3O5S and a molecular weight of 483.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
PubChem CID3207004
Molecular FormulaC23H34FN3O5S
Molecular Weight483.61 g/mol
Exact Mass483.22
IUPAC NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H34FN3O5S/c1-2-6-21(23(29)26-18-7-3-4-8-18)27(16-19-9-5-14-32-19)22(28)15-25-33(30,31)20-12-10-17(24)11-13-20/h10-13,18-19,21,25H,2-9,14-16H2,1H3,(H,26,29)
InChIKeyIQNCKRUHUUESRM-UHFFFAOYSA-N
XLogP2.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide (CID 3207004) is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide is CCCC(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The InChIKey is IQNCKRUHUUESRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O5S/c1-2-6-21(23(29)26-18-7-3-4-8-18)27(16-19-9-5-14-32-19)22(28)15-25-33(30,31)20-12-10-17(24)11-13-20/h10-13,18-19,21,25H,2-9,14-16H2,1H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide has a molecular weight of 483.61 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide is sourced from PubChem (CID 3207004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).