(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide

C16H25FN2O3S — CID 125077655

IUPAC(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
SMILESCC[C@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-6-15(16(20)18-12(4)11(2)3)19(23(5,21)22)14-9-7-13(17)8-10-14/h7-12,15H,6H2,1-5H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyZYVFATLXFSXCLA-IUODEOHRSA-N
MW344.45 g/mol
LogP2.53
Rot. Bonds7

About (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide (PubChem CID 125077655) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
PubChem CID125077655
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
SMILESCC[C@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-6-15(16(20)18-12(4)11(2)3)19(23(5,21)22)14-9-7-13(17)8-10-14/h7-12,15H,6H2,1-5H3,(H,18,20)/t12-,15-/m1/s1
InChIKeyZYVFATLXFSXCLA-IUODEOHRSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 125076235
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100565576
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]butanamide
CID 100571012
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 92677182
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172697
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172695
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 125044200
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 43905700
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 94027641
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190723
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94019997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide?
The IUPAC name of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide (CID 125077655) is (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide?
The canonical SMILES for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide is CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide?
The InChIKey is ZYVFATLXFSXCLA-IUODEOHRSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-6-15(16(20)18-12(4)11(2)3)19(23(5,21)22)14-9-7-13(17)8-10-14/h7-12,15H,6H2,1-5H3,(H,18,20)/t12-,15-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide?
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide has a molecular weight of 344.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide is sourced from PubChem (CID 125077655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).