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

C22H23ClN2O4S — CID 42682417

IUPACN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C22H23ClN2O4S/c1-27-11-10-25(22(26)16-4-3-5-20(12-16)28-2)13-18-15-30-21(24-18)14-29-19-8-6-17(23)7-9-19/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyVPXXRSOFAIRGHO-UHFFFAOYSA-N
MW446.96 g/mol
LogP4.67
Rot. Bonds10

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

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 42682417) has the molecular formula C22H23ClN2O4S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID42682417
Molecular FormulaC22H23ClN2O4S
Molecular Weight446.96 g/mol
Exact Mass446.11
IUPAC NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C22H23ClN2O4S/c1-27-11-10-25(22(26)16-4-3-5-20(12-16)28-2)13-18-15-30-21(24-18)14-29-19-8-6-17(23)7-9-19/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyVPXXRSOFAIRGHO-UHFFFAOYSA-N
XLogP4.67
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 54.67
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]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 46008413
3-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008078
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46013156
4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42682409
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 46013200
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluoro-N-(3-methoxypropyl)benzamide
CID 42682425
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 46008342
3-bromo-N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009243
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008327
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 42682491
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46009783

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide (CID 42682417) is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide is COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is VPXXRSOFAIRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4S/c1-27-11-10-25(22(26)16-4-3-5-20(12-16)28-2)13-18-15-30-21(24-18)14-29-19-8-6-17(23)7-9-19/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 446.96 g/mol, XLogP of 4.67, 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]-3-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42682417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).