3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide

C21H22N2O4S — CID 55582714

IUPAC3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C21H22N2O4S/c1-23(11-15-5-4-6-18(9-15)25-2)21(24)16-7-8-19(20(10-16)26-3)27-12-17-13-28-14-22-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyCEJMXXSRLPRHQF-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.01
Rot. Bonds8

About 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55582714) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55582714
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C21H22N2O4S/c1-23(11-15-5-4-6-18(9-15)25-2)21(24)16-7-8-19(20(10-16)26-3)27-12-17-13-28-14-22-17/h4-10,13-14H,11-12H2,1-3H3
InChIKeyCEJMXXSRLPRHQF-UHFFFAOYSA-N
XLogP4.01
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46443034
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842603
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55787478
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39431921
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-cyclohexyl-N-ethyl-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134043401
N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32590507
2-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345906

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55582714) is 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cccc(CN(C)C(=O)c2ccc(OCc3cscn3)c(OC)c2)c1.
What is the InChIKey of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is CEJMXXSRLPRHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-23(11-15-5-4-6-18(9-15)25-2)21(24)16-7-8-19(20(10-16)26-3)27-12-17-13-28-14-22-17/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 398.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).