(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide

C14H21FN2O3S2 — CID 31759124

IUPAC(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C14H21FN2O3S2/c1-4-22(19,20)17-12(7-8-21-3)14(18)16-13-9-11(15)6-5-10(13)2/h5-6,9,12,17H,4,7-8H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyITDZPWMCUIKBDC-GFCCVEGCSA-N
MW348.47 g/mol
LogP2.13
Rot. Bonds8

About (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide

(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide (PubChem CID 31759124) has the molecular formula C14H21FN2O3S2 and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
PubChem CID31759124
Molecular FormulaC14H21FN2O3S2
Molecular Weight348.47 g/mol
Exact Mass348.10
IUPAC Name(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C14H21FN2O3S2/c1-4-22(19,20)17-12(7-8-21-3)14(18)16-13-9-11(15)6-5-10(13)2/h5-6,9,12,17H,4,7-8H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyITDZPWMCUIKBDC-GFCCVEGCSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61149301
2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 76892783
2-bromo-N-[1-(5-fluoro-2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 134062578
(2S)-2-(ethylsulfonylamino)-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbutanamide
CID 94825011
N-[(2R)-1-(4-fluoro-2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 8865768
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
N-[1-(2,5-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55334670
2-(ethylsulfonylamino)-N-(1H-imidazol-2-yl)-4-methylsulfanylbutanamide
CID 55213744
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
(2R)-2-amino-N-(5-chloro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 104906873

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide (CID 31759124) is (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is ITDZPWMCUIKBDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21FN2O3S2/c1-4-22(19,20)17-12(7-8-21-3)14(18)16-13-9-11(15)6-5-10(13)2/h5-6,9,12,17H,4,7-8H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide?
(2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 348.47 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylsulfonylamino)-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 31759124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).