N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide

C25H23ClN2OS — CID 43989757

IUPACN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)c(C)c1
InChIInChI=1S/C25H23ClN2OS/c1-16-12-17(2)20(18(3)13-16)14-23(29)28(15-19-8-5-4-6-9-19)25-27-24-21(26)10-7-11-22(24)30-25/h4-13H,14-15H2,1-3H3
InChIKeyPVZCATQYWUIDGS-UHFFFAOYSA-N
MW434.99 g/mol
LogP6.65
Rot. Bonds5

About N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide

N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide (PubChem CID 43989757) has the molecular formula C25H23ClN2OS and a molecular weight of 434.99 g/mol. Its IUPAC name is N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
PubChem CID43989757
Molecular FormulaC25H23ClN2OS
Molecular Weight434.99 g/mol
Exact Mass434.12
IUPAC NameN-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)c(C)c1
InChIInChI=1S/C25H23ClN2OS/c1-16-12-17(2)20(18(3)13-16)14-23(29)28(15-19-8-5-4-6-9-19)25-27-24-21(26)10-7-11-22(24)30-25/h4-13H,14-15H2,1-3H3
InChIKeyPVZCATQYWUIDGS-UHFFFAOYSA-N
XLogP6.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.99
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989769
N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989767
N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989773
N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 41109819
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343125
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 41109876
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 41109848
methyl 4-[benzyl-(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41109852
3-(benzenesulfonyl)-N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)propanamide
CID 18581938
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 41109878
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7917960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide (CID 43989757) is N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(CC(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)c(C)c1.
What is the InChIKey of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is PVZCATQYWUIDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2OS/c1-16-12-17(2)20(18(3)13-16)14-23(29)28(15-19-8-5-4-6-9-19)25-27-24-21(26)10-7-11-22(24)30-25/h4-13H,14-15H2,1-3H3.
What are the key properties of N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide?
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 434.99 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 43989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).