N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide

C25H33F2NO4S — CID 146352906

IUPACN-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
SMILESCC(C)(C)COCCCS(=O)(=O)NC(c1ccc(F)cc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C25H33F2NO4S/c1-25(2,3)17-31-13-4-14-33(29,30)28-24(19-7-10-21(26)11-8-19)20-9-12-22(27)23(15-20)32-16-18-5-6-18/h7-12,15,18,24,28H,4-6,13-14,16-17H2,1-3H3
InChIKeyZPNLYHIXOGFSJL-UHFFFAOYSA-N
MW481.61 g/mol
LogP5.22
Rot. Bonds12

About N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide

N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide (PubChem CID 146352906) has the molecular formula C25H33F2NO4S and a molecular weight of 481.61 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
PubChem CID146352906
Molecular FormulaC25H33F2NO4S
Molecular Weight481.61 g/mol
Exact Mass481.21
IUPAC NameN-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
SMILESCC(C)(C)COCCCS(=O)(=O)NC(c1ccc(F)cc1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C25H33F2NO4S/c1-25(2,3)17-31-13-4-14-33(29,30)28-24(19-7-10-21(26)11-8-19)20-9-12-22(27)23(15-20)32-16-18-5-6-18/h7-12,15,18,24,28H,4-6,13-14,16-17H2,1-3H3
InChIKeyZPNLYHIXOGFSJL-UHFFFAOYSA-N
XLogP5.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-[(2,5-dioxopyrrolidin-3-yl)methoxy]propane-1-sulfonamide
CID 146426259
2-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]thiophene
CID 158610582
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]-3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
CID 53234060
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
1-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-2-(3-ethoxypropyl)hydrazine;ethane
CID 142399591
3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]sulfamoyl]propyl acetate
CID 155370300
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(1,3-dioxoisoindol-5-yl)propane-1-sulfonamide
CID 146228283
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
CID 170119509
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
CID 155347003
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
The IUPAC name of N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide (CID 146352906) is N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide.
What is the SMILES notation for N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
The canonical SMILES for N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide is CC(C)(C)COCCCS(=O)(=O)NC(c1ccc(F)cc1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
The InChIKey is ZPNLYHIXOGFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2NO4S/c1-25(2,3)17-31-13-4-14-33(29,30)28-24(19-7-10-21(26)11-8-19)20-9-12-22(27)23(15-20)32-16-18-5-6-18/h7-12,15,18,24,28H,4-6,13-14,16-17H2,1-3H3.
What are the key properties of N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide?
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide has a molecular weight of 481.61 g/mol, XLogP of 5.22, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(4-fluorophenyl)methyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide is sourced from PubChem (CID 146352906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).