N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide

C24H30N2O4S2 — CID 93166027

IUPACN-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4S2/c1-6-19(4)26(32(27,28)23-9-7-21(29-5)8-10-23)14-20-16-31-24(25-20)15-30-22-12-17(2)11-18(3)13-22/h7-13,16,19H,6,14-15H2,1-5H3/t19-/m1/s1
InChIKeyQTHBJEBISLPARZ-LJQANCHMSA-N
MW474.65 g/mol
LogP5.34
Rot. Bonds10

About N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide

N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 93166027) has the molecular formula C24H30N2O4S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID93166027
Molecular FormulaC24H30N2O4S2
Molecular Weight474.65 g/mol
Exact Mass474.16
IUPAC NameN-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4S2/c1-6-19(4)26(32(27,28)23-9-7-21(29-5)8-10-23)14-20-16-31-24(25-20)15-30-22-12-17(2)11-18(3)13-22/h7-13,16,19H,6,14-15H2,1-5H3/t19-/m1/s1
InChIKeyQTHBJEBISLPARZ-LJQANCHMSA-N
XLogP5.34
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-butan-2-yl]-4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 93166037
N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 93166030
4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 46009805
N-[(2R)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 93166049
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165112
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008214
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyacetamide
CID 93165138
N-cyclopropyl-4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 42682590
N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165132
N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 93165127
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide (CID 93166027) is N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide is CC[C@@H](C)N(Cc1csc(COc2cc(C)cc(C)c2)n1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is QTHBJEBISLPARZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N2O4S2/c1-6-19(4)26(32(27,28)23-9-7-21(29-5)8-10-23)14-20-16-31-24(25-20)15-30-22-12-17(2)11-18(3)13-22/h7-13,16,19H,6,14-15H2,1-5H3/t19-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide?
N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 474.65 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 93166027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).