N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide

C23H34FN3O5S — CID 3207003

IUPACN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H34FN3O5S/c1-16(2)22(23(29)26-18-6-3-4-7-18)27(15-19-8-5-13-32-19)21(28)14-25-33(30,31)20-11-9-17(24)10-12-20/h9-12,16,18-19,22,25H,3-8,13-15H2,1-2H3,(H,26,29)
InChIKeyXIDRVGXAYPOFQA-UHFFFAOYSA-N
MW483.61 g/mol
LogP2.19
Rot. Bonds10

About N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide

N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide (PubChem CID 3207003) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide
PubChem CID3207003
Molecular FormulaC23H34FN3O5S
Molecular Weight483.61 g/mol
Exact Mass483.22
IUPAC NameN-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H34FN3O5S/c1-16(2)22(23(29)26-18-6-3-4-7-18)27(15-19-8-5-13-32-19)21(28)14-25-33(30,31)20-11-9-17(24)10-12-20/h9-12,16,18-19,22,25H,3-8,13-15H2,1-2H3,(H,26,29)
InChIKeyXIDRVGXAYPOFQA-UHFFFAOYSA-N
XLogP2.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide (CID 3207003) is N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide is CC(C)C(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]-3-methylbutanamide?
The InChIKey is XIDRVGXAYPOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O5S/c1-16(2)22(23(29)26-18-6-3-4-7-18)27(15-19-8-5-13-32-19)21(28)14-25-33(30,31)20-11-9-17(24)10-12-20/h9-12,16,18-19,22,25H,3-8,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
N-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide has a molecular weight of 483.61 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-cyclopentyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 3207003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).