3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C21H22N2O4S — CID 7693515

IUPAC3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C21H22N2O4S/c1-25-17-6-4-5-14(9-17)21-23-16(13-28-21)7-8-22-20(24)15-10-18(26-2)12-19(11-15)27-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,24)
InChIKeyURTOGTLLGMDDRI-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.81
Rot. Bonds8

About 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7693515) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7693515
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C21H22N2O4S/c1-25-17-6-4-5-14(9-17)21-23-16(13-28-21)7-8-22-20(24)15-10-18(26-2)12-19(11-15)27-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,24)
InChIKeyURTOGTLLGMDDRI-UHFFFAOYSA-N
XLogP3.81
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317450
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
4-butoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7522067

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7693515) is 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2csc(-c3cccc(OC)c3)n2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is URTOGTLLGMDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-25-17-6-4-5-14(9-17)21-23-16(13-28-21)7-8-22-20(24)15-10-18(26-2)12-19(11-15)27-3/h4-6,9-13H,7-8H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7693515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).