N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C21H21ClN2O2S2 — CID 55504209

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)N(C)CCOc2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H21ClN2O2S2/c1-15-23-17(13-27-15)14-28-20-6-4-3-5-19(20)21(25)24(2)11-12-26-18-9-7-16(22)8-10-18/h3-10,13H,11-12,14H2,1-2H3
InChIKeyJQSNZOYRJCCFEV-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.55
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 55504209) has the molecular formula C21H21ClN2O2S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID55504209
Molecular FormulaC21H21ClN2O2S2
Molecular Weight433.00 g/mol
Exact Mass432.07
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)N(C)CCOc2ccc(Cl)cc2)cs1
InChIInChI=1S/C21H21ClN2O2S2/c1-15-23-17(13-27-15)14-28-20-6-4-3-5-19(20)21(25)24(2)11-12-26-18-9-7-16(22)8-10-18/h3-10,13H,11-12,14H2,1-2H3
InChIKeyJQSNZOYRJCCFEV-UHFFFAOYSA-N
XLogP5.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491736
N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55504060
2-[methyl-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]propanoic acid
CID 119359286
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31305749
N-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 55543102
N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 46599115
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide
CID 26399275
N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 55505673
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917
N-(1-hydroxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 78857346

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 55504209) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is Cc1nc(CSc2ccccc2C(=O)N(C)CCOc2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is JQSNZOYRJCCFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S2/c1-15-23-17(13-27-15)14-28-20-6-4-3-5-19(20)21(25)24(2)11-12-26-18-9-7-16(22)8-10-18/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 433.00 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55504209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).