N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide

C19H22FNO2S — CID 23959991

IUPACN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(2,12-13-5-7-14(20)8-6-13)21-18(22)16-10-9-15(24-4)11-17(16)23-3/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyQTDAWRAMZQRGQC-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide

N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 23959991) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID23959991
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(2,12-13-5-7-14(20)8-6-13)21-18(22)16-10-9-15(24-4)11-17(16)23-3/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyQTDAWRAMZQRGQC-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide (CID 23959991) is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is QTDAWRAMZQRGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-19(2,12-13-5-7-14(20)8-6-13)21-18(22)16-10-9-15(24-4)11-17(16)23-3/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide?
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 23959991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).