N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide

C24H19N3O3S — CID 171982252

IUPACN-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3nc(NC(=O)c4ccccc4)cs3)c2)c1
InChIInChI=1S/C24H19N3O3S/c1-30-20-12-6-9-17(14-20)23(29)25-19-11-5-10-18(13-19)24-27-21(15-31-24)26-22(28)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,29)(H,26,28)
InChIKeyIDFBJAGTQZHANG-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.32
Rot. Bonds6

About N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide

N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide (PubChem CID 171982252) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
PubChem CID171982252
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3nc(NC(=O)c4ccccc4)cs3)c2)c1
InChIInChI=1S/C24H19N3O3S/c1-30-20-12-6-9-17(14-20)23(29)25-19-11-5-10-18(13-19)24-27-21(15-31-24)26-22(28)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,29)(H,26,28)
InChIKeyIDFBJAGTQZHANG-UHFFFAOYSA-N
XLogP5.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 21358404
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methoxybenzamide
CID 1339505
2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286197
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide (CID 171982252) is N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(-c3nc(NC(=O)c4ccccc4)cs3)c2)c1.
What is the InChIKey of N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide?
The InChIKey is IDFBJAGTQZHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c1-30-20-12-6-9-17(14-20)23(29)25-19-11-5-10-18(13-19)24-27-21(15-31-24)26-22(28)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide?
N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide has a molecular weight of 429.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 171982252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).