N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

C23H29F2N3O4S2 — CID 24981483

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H29F2N3O4S2/c1-33-15-10-20(27-34(30,31)22-5-3-2-4-19(22)25)23(29)26-16-21(28-11-13-32-14-12-28)17-6-8-18(24)9-7-17/h2-9,20-21,27H,10-16H2,1H3,(H,26,29)
InChIKeyDQASGIPDTJCZEC-UHFFFAOYSA-N
MW513.63 g/mol
LogP2.55
Rot. Bonds11

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 24981483) has the molecular formula C23H29F2N3O4S2 and a molecular weight of 513.63 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID24981483
Molecular FormulaC23H29F2N3O4S2
Molecular Weight513.63 g/mol
Exact Mass513.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H29F2N3O4S2/c1-33-15-10-20(27-34(30,31)22-5-3-2-4-19(22)25)23(29)26-16-21(28-11-13-32-14-12-28)17-6-8-18(24)9-7-17/h2-9,20-21,27H,10-16H2,1H3,(H,26,29)
InChIKeyDQASGIPDTJCZEC-UHFFFAOYSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.63
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide 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-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 24981483) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is DQASGIPDTJCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O4S2/c1-33-15-10-20(27-34(30,31)22-5-3-2-4-19(22)25)23(29)26-16-21(28-11-13-32-14-12-28)17-6-8-18(24)9-7-17/h2-9,20-21,27H,10-16H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 513.63 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 24981483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).