N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide

C20H26FNO2S — CID 69041639

IUPACN-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(CCC(NS(=O)C(C)(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-6,8-13,19,22H,7,14H2,1-4H3
InChIKeySYLCAHALSAOGKQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide

N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 69041639) has the molecular formula C20H26FNO2S and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID69041639
Molecular FormulaC20H26FNO2S
Molecular Weight363.50 g/mol
Exact Mass363.17
IUPAC NameN-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(CCC(NS(=O)C(C)(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-6,8-13,19,22H,7,14H2,1-4H3
InChIKeySYLCAHALSAOGKQ-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide (CID 69041639) is N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide is COc1ccc(CCC(NS(=O)C(C)(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SYLCAHALSAOGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-6,8-13,19,22H,7,14H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 363.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 69041639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).