N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

C24H29FN2O3S — CID 3202757

IUPACN-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cc1cccs1
InChIInChI=1S/C24H29FN2O3S/c25-18-11-9-17(10-12-18)23(24(29)26-19-5-1-2-6-19)27(16-20-7-3-13-30-20)22(28)15-21-8-4-14-31-21/h4,8-12,14,19-20,23H,1-3,5-7,13,15-16H2,(H,26,29)
InChIKeyQKTKTQZFKBAVIN-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.24
Rot. Bonds8

About N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3202757) has the molecular formula C24H29FN2O3S and a molecular weight of 444.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3202757
Molecular FormulaC24H29FN2O3S
Molecular Weight444.57 g/mol
Exact Mass444.19
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cc1cccs1
InChIInChI=1S/C24H29FN2O3S/c25-18-11-9-17(10-12-18)23(24(29)26-19-5-1-2-6-19)27(16-20-7-3-13-30-20)22(28)15-21-8-4-14-31-21/h4,8-12,14,19-20,23H,1-3,5-7,13,15-16H2,(H,26,29)
InChIKeyQKTKTQZFKBAVIN-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3202757) is N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NC1CCCC1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cc1cccs1.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is QKTKTQZFKBAVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3S/c25-18-11-9-17(10-12-18)23(24(29)26-19-5-1-2-6-19)27(16-20-7-3-13-30-20)22(28)15-21-8-4-14-31-21/h4,8-12,14,19-20,23H,1-3,5-7,13,15-16H2,(H,26,29).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 444.57 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-2-[oxolan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3202757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).