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

C21H21N3O3S — CID 38403977

IUPACN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-23-18(13-28-14)12-27-19-5-3-4-16(11-19)21(26)24-17-8-6-15(7-9-17)10-20(25)22-2/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyAMKPMYSJBKJJMO-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.57
Rot. Bonds7

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

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 38403977) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID38403977
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-23-18(13-28-14)12-27-19-5-3-4-16(11-19)21(26)24-17-8-6-15(7-9-17)10-20(25)22-2/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyAMKPMYSJBKJJMO-UHFFFAOYSA-N
XLogP3.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55878584
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1H-pyrazol-5-yl)benzamide
CID 47835663
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16571914
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-propoxyphenyl)benzamide
CID 51262177
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38323896

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 38403977) is N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CNC(=O)Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is AMKPMYSJBKJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-23-18(13-28-14)12-27-19-5-3-4-16(11-19)21(26)24-17-8-6-15(7-9-17)10-20(25)22-2/h3-9,11,13H,10,12H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 38403977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).