(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

C19H23BrN2O4S — CID 100643823

IUPAC(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
SMILESCC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C19H23BrN2O4S/c1-5-18(19(23)21-14-6-11-17(20)13(2)12-14)26-16-9-7-15(8-10-16)22(3)27(4,24)25/h6-12,18H,5H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyVPWUYBUROMXZKA-GOSISDBHSA-N
MW455.37 g/mol
LogP3.95
Rot. Bonds7

About (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (PubChem CID 100643823) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
PubChem CID100643823
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
SMILESCC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C19H23BrN2O4S/c1-5-18(19(23)21-14-6-11-17(20)13(2)12-14)26-16-9-7-15(8-10-16)22(3)27(4,24)25/h6-12,18H,5H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyVPWUYBUROMXZKA-GOSISDBHSA-N
XLogP3.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-propan-2-yloxyphenyl)butanamide
CID 133161996
N-(4-ethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160487
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100545596
ethyl 4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzoate
CID 100764730
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-prop-2-enoxyphenyl)butanamide
CID 100720771
4-[[(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100769036
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100766309
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
CID 132659215
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100548035
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-5-nitrophenyl)butanamide
CID 133199760

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The IUPAC name of (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (CID 100643823) is (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.
What is the SMILES notation for (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The canonical SMILES for (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The InChIKey is VPWUYBUROMXZKA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-5-18(19(23)21-14-6-11-17(20)13(2)12-14)26-16-9-7-15(8-10-16)22(3)27(4,24)25/h6-12,18H,5H2,1-4H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
(2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide has a molecular weight of 455.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-3-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is sourced from PubChem (CID 100643823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).