N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

C21H22N2O4S2 — CID 38629529

IUPACN-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)Nc3cc(OC)ccc3OC)cs2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-25-16-6-4-14(5-7-16)21-22-15(12-29-21)11-28-13-20(24)23-18-10-17(26-2)8-9-19(18)27-3/h4-10,12H,11,13H2,1-3H3,(H,23,24)
InChIKeySVDZRXQLNPPPJW-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.71
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (PubChem CID 38629529) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
PubChem CID38629529
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)Nc3cc(OC)ccc3OC)cs2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-25-16-6-4-14(5-7-16)21-22-15(12-29-21)11-28-13-20(24)23-18-10-17(26-2)8-9-19(18)27-3/h4-10,12H,11,13H2,1-3H3,(H,23,24)
InChIKeySVDZRXQLNPPPJW-UHFFFAOYSA-N
XLogP4.71
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dichlorophenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 46581033
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(cyclopropylmethyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 60541980
N-(2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603566
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 38636235
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
N-(2,5-dimethoxyphenyl)-2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899746
ethyl 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 4788075
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24673631
N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 55570324
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (CID 38629529) is N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is COc1ccc(-c2nc(CSCC(=O)Nc3cc(OC)ccc3OC)cs2)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is SVDZRXQLNPPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-25-16-6-4-14(5-7-16)21-22-15(12-29-21)11-28-13-20(24)23-18-10-17(26-2)8-9-19(18)27-3/h4-10,12H,11,13H2,1-3H3,(H,23,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38629529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).