N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

C17H19FN2O3S — CID 28635604

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESC[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-12(13-8-10-14(18)11-9-13)19-17(21)15-6-4-5-7-16(15)20(2)24(3,22)23/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyRPEJJYLZKUPLGK-LBPRGKRZSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 28635604) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID28635604
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESC[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-12(13-8-10-14(18)11-9-13)19-17(21)15-6-4-5-7-16(15)20(2)24(3,22)23/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyRPEJJYLZKUPLGK-LBPRGKRZSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
2-bromo-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4782933
2-[[2-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2207753
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 38915865
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 28635604) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is C[C@H](NC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is RPEJJYLZKUPLGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12(13-8-10-14(18)11-9-13)19-17(21)15-6-4-5-7-16(15)20(2)24(3,22)23/h4-12H,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.71, 5 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)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 28635604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).