N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

C25H24N2O2S — CID 41109630

IUPACN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(OC(C)C)cc3)nc12
InChIInChI=1S/C25H24N2O2S/c1-17(2)29-21-14-12-20(13-15-21)24(28)27(16-19-9-5-4-6-10-19)25-26-23-18(3)8-7-11-22(23)30-25/h4-15,17H,16H2,1-3H3
InChIKeyZJSWTKJMQYLTFC-UHFFFAOYSA-N
MW416.55 g/mol
LogP6.24
Rot. Bonds6

About N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 41109630) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID41109630
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(OC(C)C)cc3)nc12
InChIInChI=1S/C25H24N2O2S/c1-17(2)29-21-14-12-20(13-15-21)24(28)27(16-19-9-5-4-6-10-19)25-26-23-18(3)8-7-11-22(23)30-25/h4-15,17H,16H2,1-3H3
InChIKeyZJSWTKJMQYLTFC-UHFFFAOYSA-N
XLogP6.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41345400
N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44930219
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41110024
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 41319477
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615764
N-benzyl-4-ethoxy-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41109701
N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109779
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055471
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 43989979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (CID 41109630) is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc(OC(C)C)cc3)nc12.
What is the InChIKey of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is ZJSWTKJMQYLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-17(2)29-21-14-12-20(13-15-21)24(28)27(16-19-9-5-4-6-10-19)25-26-23-18(3)8-7-11-22(23)30-25/h4-15,17H,16H2,1-3H3.
What are the key properties of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 416.55 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 41109630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).