4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide

C20H20N2O2S — CID 49374963

IUPAC4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
SMILESCOc1ccc(C(=O)NCCc2csc(C)n2)cc1-c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-14-22-17(13-25-14)10-11-21-20(23)16-8-9-19(24-2)18(12-16)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyVTLVSXOMINCXPL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.10
Rot. Bonds6

About 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide

4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide (PubChem CID 49374963) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
PubChem CID49374963
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
SMILESCOc1ccc(C(=O)NCCc2csc(C)n2)cc1-c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-14-22-17(13-25-14)10-11-21-20(23)16-8-9-19(24-2)18(12-16)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyVTLVSXOMINCXPL-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317408
4-chloro-2-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 47451724
3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106035352
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
4-anilino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 36749772
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
4-(3-methylbutoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36696227
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide (CID 49374963) is 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide is COc1ccc(C(=O)NCCc2csc(C)n2)cc1-c1ccccc1.
What is the InChIKey of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide?
The InChIKey is VTLVSXOMINCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-22-17(13-25-14)10-11-21-20(23)16-8-9-19(24-2)18(12-16)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide?
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide is sourced from PubChem (CID 49374963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).