(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide

C16H18FN3O3S — CID 95195829

IUPAC(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
SMILESCC[C@H](C(=O)Nc1cccnc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H18FN3O3S/c1-3-14(16(21)19-12-7-6-10-18-11-12)20(24(2,22)23)15-9-5-4-8-13(15)17/h4-11,14H,3H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyFRWLQDTYJIVDTN-CQSZACIVSA-N
MW351.40 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide

(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide (PubChem CID 95195829) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
PubChem CID95195829
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
SMILESCC[C@H](C(=O)Nc1cccnc1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H18FN3O3S/c1-3-14(16(21)19-12-7-6-10-18-11-12)20(24(2,22)23)15-9-5-4-8-13(15)17/h4-11,14H,3H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyFRWLQDTYJIVDTN-CQSZACIVSA-N
XLogP2.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53288278
3-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53288176
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 99132754
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132698
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523601
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53288449
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]butanamide
CID 99132848
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 99132849
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 132666363
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125083737

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide?
The IUPAC name of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide (CID 95195829) is (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide?
The canonical SMILES for (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide is CC[C@H](C(=O)Nc1cccnc1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide?
The InChIKey is FRWLQDTYJIVDTN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-3-14(16(21)19-12-7-6-10-18-11-12)20(24(2,22)23)15-9-5-4-8-13(15)17/h4-11,14H,3H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide?
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide has a molecular weight of 351.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 95195829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).