N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide

C21H21ClN2O3S — CID 7503044

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1OC
InChIInChI=1S/C21H21ClN2O3S/c1-13-18(28-21(24-13)14-7-9-15(22)10-8-14)11-12-23-20(25)16-5-4-6-17(26-2)19(16)27-3/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeySFODGBWBNXWHCE-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.76
Rot. Bonds7

About N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide (PubChem CID 7503044) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
PubChem CID7503044
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1OC
InChIInChI=1S/C21H21ClN2O3S/c1-13-18(28-21(24-13)14-7-9-15(22)10-8-14)11-12-23-20(25)16-5-4-6-17(26-2)19(16)27-3/h4-10H,11-12H2,1-3H3,(H,23,25)
InChIKeySFODGBWBNXWHCE-UHFFFAOYSA-N
XLogP4.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7518044
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methyl-3-nitrobenzamide
CID 7518009
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
CID 71795515
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4,5-triethoxybenzamide
CID 20965668
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide (CID 7503044) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1OC.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide?
The InChIKey is SFODGBWBNXWHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-13-18(28-21(24-13)14-7-9-15(22)10-8-14)11-12-23-20(25)16-5-4-6-17(26-2)19(16)27-3/h4-10H,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide has a molecular weight of 416.93 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 7503044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).