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

C21H23ClN2O4S2 — CID 42682586

IUPACN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
SMILESCOCCN(Cc1csc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H23ClN2O4S2/c1-16-3-9-20(10-4-16)30(25,26)24(11-12-27-2)13-18-15-29-21(23-18)14-28-19-7-5-17(22)6-8-19/h3-10,15H,11-14H2,1-2H3
InChIKeyMUNFDLZAHHYWIW-UHFFFAOYSA-N
MW467.01 g/mol
LogP4.52
Rot. Bonds10

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

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide (PubChem CID 42682586) has the molecular formula C21H23ClN2O4S2 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
PubChem CID42682586
Molecular FormulaC21H23ClN2O4S2
Molecular Weight467.01 g/mol
Exact Mass466.08
IUPAC NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
SMILESCOCCN(Cc1csc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H23ClN2O4S2/c1-16-3-9-20(10-4-16)30(25,26)24(11-12-27-2)13-18-15-29-21(23-18)14-28-19-7-5-17(22)6-8-19/h3-10,15H,11-14H2,1-2H3
InChIKeyMUNFDLZAHHYWIW-UHFFFAOYSA-N
XLogP4.52
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46009783
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 46009788
N-[(2S)-butan-2-yl]-N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 93166030
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 46008342
4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42682409
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]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 42682417
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluoro-N-(3-methoxypropyl)benzamide
CID 42682425
4-methyl-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 46009759
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 46008413

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide (CID 42682586) is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide is COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is MUNFDLZAHHYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S2/c1-16-3-9-20(10-4-16)30(25,26)24(11-12-27-2)13-18-15-29-21(23-18)14-28-19-7-5-17(22)6-8-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide?
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 467.01 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 42682586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).