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

C23H36FN3O5S — CID 3207011

IUPAC2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)(C)CC)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H36FN3O5S/c1-5-8-20(22(29)26-23(3,4)6-2)27(16-18-9-7-14-32-18)21(28)15-25-33(30,31)19-12-10-17(24)11-13-19/h10-13,18,20,25H,5-9,14-16H2,1-4H3,(H,26,29)
InChIKeySCGMTFSIUKYEIQ-UHFFFAOYSA-N
MW485.62 g/mol
LogP2.59
Rot. Bonds12

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

2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide (PubChem CID 3207011) has the molecular formula C23H36FN3O5S and a molecular weight of 485.62 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
PubChem CID3207011
Molecular FormulaC23H36FN3O5S
Molecular Weight485.62 g/mol
Exact Mass485.24
IUPAC Name2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)(C)CC)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H36FN3O5S/c1-5-8-20(22(29)26-23(3,4)6-2)27(16-18-9-7-14-32-18)21(28)15-25-33(30,31)19-12-10-17(24)11-13-19/h10-13,18,20,25H,5-9,14-16H2,1-4H3,(H,26,29)
InChIKeySCGMTFSIUKYEIQ-UHFFFAOYSA-N
XLogP2.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
The IUPAC name of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide (CID 3207011) is 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide is CCCC(C(=O)NC(C)(C)CC)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
The InChIKey is SCGMTFSIUKYEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O5S/c1-5-8-20(22(29)26-23(3,4)6-2)27(16-18-9-7-14-32-18)21(28)15-25-33(30,31)19-12-10-17(24)11-13-19/h10-13,18,20,25H,5-9,14-16H2,1-4H3,(H,26,29).
What are the key properties of 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide has a molecular weight of 485.62 g/mol, XLogP of 2.59, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 3207011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).