(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C16H16F3N3O3S — CID 35026880

IUPAC(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C16H16F3N3O3S/c1-10-7-8-14(20-9-10)21-15(23)11(2)22-26(24,25)13-6-4-3-5-12(13)16(17,18)19/h3-9,11,22H,1-2H3,(H,20,21,23)/t11-/m0/s1
InChIKeyMCXJURGATSHNGD-NSHDSACASA-N
MW387.38 g/mol
LogP2.71
Rot. Bonds5

About (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 35026880) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID35026880
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C16H16F3N3O3S/c1-10-7-8-14(20-9-10)21-15(23)11(2)22-26(24,25)13-6-4-3-5-12(13)16(17,18)19/h3-9,11,22H,1-2H3,(H,20,21,23)/t11-/m0/s1
InChIKeyMCXJURGATSHNGD-NSHDSACASA-N
XLogP2.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182
N-naphthalen-2-yl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 166190909
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 35568353
N-(1H-benzimidazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 42895522
N-[(2S)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 30132868
(2S)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37244583
(2S)-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55938130
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55940569
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37210962
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 35026880) is (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is MCXJURGATSHNGD-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-10-7-8-14(20-9-10)21-15(23)11(2)22-26(24,25)13-6-4-3-5-12(13)16(17,18)19/h3-9,11,22H,1-2H3,(H,20,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 387.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-2-pyridinyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 35026880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).