N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C22H17ClN2OS — CID 41109583

IUPACN-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)nc12
InChIInChI=1S/C22H17ClN2OS/c1-15-7-5-12-19-20(15)24-22(27-19)25(14-16-8-3-2-4-9-16)21(26)17-10-6-11-18(23)13-17/h2-13H,14H2,1H3
InChIKeyNGLGBJBPKNNFQB-UHFFFAOYSA-N
MW392.91 g/mol
LogP6.11
Rot. Bonds4

About N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41109583) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41109583
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC NameN-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)nc12
InChIInChI=1S/C22H17ClN2OS/c1-15-7-5-12-19-20(15)24-22(27-19)25(14-16-8-3-2-4-9-16)21(26)17-10-6-11-18(23)13-17/h2-13H,14H2,1H3
InChIKeyNGLGBJBPKNNFQB-UHFFFAOYSA-N
XLogP6.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7917960
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40694363
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615764
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41109630
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-4-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 41109819
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989757
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882
N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848554
N-benzyl-3-(4-chlorophenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 41109651

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 41109583) is N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)nc12.
What is the InChIKey of N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NGLGBJBPKNNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c1-15-7-5-12-19-20(15)24-22(27-19)25(14-16-8-3-2-4-9-16)21(26)17-10-6-11-18(23)13-17/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 392.91 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41109583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).