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

C22H34FN3O5S — CID 3207008

IUPACN-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
SMILESCCCC(C(=O)NC(C)(C)C)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H34FN3O5S/c1-5-7-19(21(28)25-22(2,3)4)26(15-17-8-6-13-31-17)20(27)14-24-32(29,30)18-11-9-16(23)10-12-18/h9-12,17,19,24H,5-8,13-15H2,1-4H3,(H,25,28)
InChIKeyYUKGAESRRRJZMP-UHFFFAOYSA-N
MW471.60 g/mol
LogP2.19
Rot. Bonds10

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

N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide (PubChem CID 3207008) has the molecular formula C22H34FN3O5S and a molecular weight of 471.60 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
PubChem CID3207008
Molecular FormulaC22H34FN3O5S
Molecular Weight471.60 g/mol
Exact Mass471.22
IUPAC NameN-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide
SMILESCCCC(C(=O)NC(C)(C)C)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H34FN3O5S/c1-5-7-19(21(28)25-22(2,3)4)26(15-17-8-6-13-31-17)20(27)14-24-32(29,30)18-11-9-16(23)10-12-18/h9-12,17,19,24H,5-8,13-15H2,1-4H3,(H,25,28)
InChIKeyYUKGAESRRRJZMP-UHFFFAOYSA-N
XLogP2.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The IUPAC name of N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide (CID 3207008) is N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The canonical SMILES for N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide is CCCC(C(=O)NC(C)(C)C)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
The InChIKey is YUKGAESRRRJZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O5S/c1-5-7-19(21(28)25-22(2,3)4)26(15-17-8-6-13-31-17)20(27)14-24-32(29,30)18-11-9-16(23)10-12-18/h9-12,17,19,24H,5-8,13-15H2,1-4H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide?
N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide has a molecular weight of 471.60 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]pentanamide is sourced from PubChem (CID 3207008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).