N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C18H15IN2O3S — CID 55585441

IUPACN-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1cscn1
InChIInChI=1S/C18H15IN2O3S/c1-23-17-7-12(18(22)21-14-4-2-3-13(19)8-14)5-6-16(17)24-9-15-10-25-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyCDSFHBOKCVBGDE-UHFFFAOYSA-N
MW466.30 g/mol
LogP4.59
Rot. Bonds6

About N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55585441) has the molecular formula C18H15IN2O3S and a molecular weight of 466.30 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55585441
Molecular FormulaC18H15IN2O3S
Molecular Weight466.30 g/mol
Exact Mass465.98
IUPAC NameN-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1cscn1
InChIInChI=1S/C18H15IN2O3S/c1-23-17-7-12(18(22)21-14-4-2-3-13(19)8-14)5-6-16(17)24-9-15-10-25-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyCDSFHBOKCVBGDE-UHFFFAOYSA-N
XLogP4.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32579219
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577038
N-[6-(diethylamino)-3-pyridinyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55784199
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86860467

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55585441) is N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)Nc2cccc(I)c2)ccc1OCc1cscn1.
What is the InChIKey of N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is CDSFHBOKCVBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O3S/c1-23-17-7-12(18(22)21-14-4-2-3-13(19)8-14)5-6-16(17)24-9-15-10-25-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22).
What are the key properties of N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 466.30 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55585441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).