N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C24H18N2O3S — CID 7919912

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3oc4ccccc4c3COc3ccccc3)sc2c1
InChIInChI=1S/C24H18N2O3S/c1-15-11-12-19-21(13-15)30-24(25-19)26-23(27)22-18(14-28-16-7-3-2-4-8-16)17-9-5-6-10-20(17)29-22/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyDPPJCJKREAPULI-UHFFFAOYSA-N
MW414.49 g/mol
LogP6.18
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 7919912) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID7919912
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3oc4ccccc4c3COc3ccccc3)sc2c1
InChIInChI=1S/C24H18N2O3S/c1-15-11-12-19-21(13-15)30-24(25-19)26-23(27)22-18(14-28-16-7-3-2-4-8-16)17-9-5-6-10-20(17)29-22/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyDPPJCJKREAPULI-UHFFFAOYSA-N
XLogP6.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 4799935
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55727052
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4259947
ethyl N-[6-[[3-[(dimethylamino)methyl]-1-benzofuran-2-carbonyl]amino]-1,3-benzothiazol-2-yl]carbamate
CID 86950156
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55377948
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42226983

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 7919912) is N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is Cc1ccc2nc(NC(=O)c3oc4ccccc4c3COc3ccccc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DPPJCJKREAPULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-15-11-12-19-21(13-15)30-24(25-19)26-23(27)22-18(14-28-16-7-3-2-4-8-16)17-9-5-6-10-20(17)29-22/h2-13H,14H2,1H3,(H,25,26,27).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7919912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).