3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C20H20N2O3S — CID 145489208

IUPAC3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ncc(C)s2)ccc1OCc1ccccc1C
InChIInChI=1S/C20H20N2O3S/c1-13-6-4-5-7-16(13)12-25-17-9-8-15(10-18(17)24-3)19(23)22-20-21-11-14(2)26-20/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyKCTQMFYXZLTQCV-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.60
Rot. Bonds6

About 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 145489208) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID145489208
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ncc(C)s2)ccc1OCc1ccccc1C
InChIInChI=1S/C20H20N2O3S/c1-13-6-4-5-7-16(13)12-25-17-9-8-15(10-18(17)24-3)19(23)22-20-21-11-14(2)26-20/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyKCTQMFYXZLTQCV-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61033971
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
4-[[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17294229
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-phenylmethoxybenzamide
CID 2463682
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
4-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 63744641
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[(2-chlorophenyl)methoxy]-3-methoxybenzamide
CID 39024155

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 145489208) is 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2ncc(C)s2)ccc1OCc1ccccc1C.
What is the InChIKey of 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KCTQMFYXZLTQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-6-4-5-7-16(13)12-25-17-9-8-15(10-18(17)24-3)19(23)22-20-21-11-14(2)26-20/h4-11H,12H2,1-3H3,(H,21,22,23).
What are the key properties of 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-methylphenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 145489208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).