N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide

C19H22FNO3S — CID 34081623

IUPACN-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-13(2)18(15-7-9-17(20)10-8-15)21-19(22)16-6-4-5-14(11-16)12-25(3,23)24/h4-11,13,18H,12H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyHRLHPYGSOJMCIZ-SFHVURJKSA-N
MW363.45 g/mol
LogP3.50
Rot. Bonds6

About N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide

N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 34081623) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID34081623
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-13(2)18(15-7-9-17(20)10-8-15)21-19(22)16-6-4-5-14(11-16)12-25(3,23)24/h4-11,13,18H,12H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyHRLHPYGSOJMCIZ-SFHVURJKSA-N
XLogP3.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 46419968
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
CID 110166612
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 51959885
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 134051669
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26371719

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide (CID 34081623) is N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide is CC(C)[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is HRLHPYGSOJMCIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-13(2)18(15-7-9-17(20)10-8-15)21-19(22)16-6-4-5-14(11-16)12-25(3,23)24/h4-11,13,18H,12H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide?
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 363.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 34081623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).