N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide

C22H25ClN2O3S2 — CID 93166030

IUPACN-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H25ClN2O3S2/c1-4-17(3)25(30(26,27)21-11-5-16(2)6-12-21)13-19-15-29-22(24-19)14-28-20-9-7-18(23)8-10-20/h5-12,15,17H,4,13-14H2,1-3H3/t17-/m0/s1
InChIKeyGUQFHSISHZWQLS-KRWDZBQOSA-N
MW465.04 g/mol
LogP5.67
Rot. Bonds9

About N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide

N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 93166030) has the molecular formula C22H25ClN2O3S2 and a molecular weight of 465.04 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID93166030
Molecular FormulaC22H25ClN2O3S2
Molecular Weight465.04 g/mol
Exact Mass464.10
IUPAC NameN-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H25ClN2O3S2/c1-4-17(3)25(30(26,27)21-11-5-16(2)6-12-21)13-19-15-29-22(24-19)14-28-20-9-7-18(23)8-10-20/h5-12,15,17H,4,13-14H2,1-3H3/t17-/m0/s1
InChIKeyGUQFHSISHZWQLS-KRWDZBQOSA-N
XLogP5.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
CID 93166027
N-[(2R)-butan-2-yl]-4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 93166037
N-[(2R)-butan-2-yl]-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 93166049
N-butan-2-yl-4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682545
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 46009788
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 42682586
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-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46009783
N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165132
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide (CID 93166030) is N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide is CC[C@H](C)N(Cc1csc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is GUQFHSISHZWQLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25ClN2O3S2/c1-4-17(3)25(30(26,27)21-11-5-16(2)6-12-21)13-19-15-29-22(24-19)14-28-20-9-7-18(23)8-10-20/h5-12,15,17H,4,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide?
N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 465.04 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 93166030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).