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

C21H21N3O3S — CID 46418251

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2)cs1
InChIInChI=1S/C21H21N3O3S/c1-15-22-18(14-28-15)13-27-19-10-8-16(9-11-19)21(26)24(2)12-20(25)23-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyDSGANYNHLFILPA-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.74
Rot. Bonds7

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

N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 46418251) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID46418251
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2)cs1
InChIInChI=1S/C21H21N3O3S/c1-15-22-18(14-28-15)13-27-19-10-8-16(9-11-19)21(26)24(2)12-20(25)23-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyDSGANYNHLFILPA-UHFFFAOYSA-N
XLogP3.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27807598
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
CID 33284692
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46608954
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 9040817
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 46418251) is N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3)cc2)cs1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is DSGANYNHLFILPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-22-18(14-28-15)13-27-19-10-8-16(9-11-19)21(26)24(2)12-20(25)23-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46418251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).