(2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide

C15H23FN2O3S — CID 166282127

IUPAC(2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)c(C)c1F
InChIInChI=1S/C15H23FN2O3S/c1-9-8-10(2)14(11(3)13(9)16)22(20,21)18(7)12(4)15(19)17(5)6/h8,12H,1-7H3/t12-/m0/s1
InChIKeyHMIPUXSYSJOWCG-LBPRGKRZSA-N
MW330.43 g/mol
LogP1.85
Rot. Bonds4

About (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide

(2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 166282127) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide
PubChem CID166282127
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name(2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)c(C)c1F
InChIInChI=1S/C15H23FN2O3S/c1-9-8-10(2)14(11(3)13(9)16)22(20,21)18(7)12(4)15(19)17(5)6/h8,12H,1-7H3/t12-/m0/s1
InChIKeyHMIPUXSYSJOWCG-LBPRGKRZSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide (CID 166282127) is (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide is Cc1cc(C)c(S(=O)(=O)N(C)[C@@H](C)C(=O)N(C)C)c(C)c1F.
What is the InChIKey of (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is HMIPUXSYSJOWCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-9-8-10(2)14(11(3)13(9)16)22(20,21)18(7)12(4)15(19)17(5)6/h8,12H,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide?
(2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 330.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluoro-2,4,6-trimethylphenyl)sulfonyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 166282127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).