1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene

C17H18FNO4S — CID 177004898

IUPAC1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene
SMILESCCCNC(=O)c1ccc(COc2ccc(OS(=O)F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-2-11-19-17(20)14-5-3-13(4-6-14)12-22-15-7-9-16(10-8-15)23-24(18)21/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeySWBFIHRFKIZXLA-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.33
Rot. Bonds8

About 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene

1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene (PubChem CID 177004898) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene.

Molecular Properties

Compound Name1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene
PubChem CID177004898
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene
SMILESCCCNC(=O)c1ccc(COc2ccc(OS(=O)F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-2-11-19-17(20)14-5-3-13(4-6-14)12-22-15-7-9-16(10-8-15)23-24(18)21/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeySWBFIHRFKIZXLA-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene 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

4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene?
The IUPAC name of 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene (CID 177004898) is 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene.
What is the SMILES notation for 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene?
The canonical SMILES for 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene is CCCNC(=O)c1ccc(COc2ccc(OS(=O)F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene?
The InChIKey is SWBFIHRFKIZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-2-11-19-17(20)14-5-3-13(4-6-14)12-22-15-7-9-16(10-8-15)23-24(18)21/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene?
1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene has a molecular weight of 351.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorosulfinyloxyphenoxy)methyl]-4-(propylcarbamoyl)benzene is sourced from PubChem (CID 177004898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).