N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide

C20H15N3O3S — CID 29359511

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3occc3-c3ccccc3)sc2c1
InChIInChI=1S/C20H15N3O3S/c1-12(24)21-14-7-8-16-17(11-14)27-20(22-16)23-19(25)18-15(9-10-26-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,23,25)
InChIKeyBIHGJODYMQBLHR-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.77
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide (PubChem CID 29359511) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide
PubChem CID29359511
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3occc3-c3ccccc3)sc2c1
InChIInChI=1S/C20H15N3O3S/c1-12(24)21-14-7-8-16-17(11-14)27-20(22-16)23-19(25)18-15(9-10-26-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,23,25)
InChIKeyBIHGJODYMQBLHR-UHFFFAOYSA-N
XLogP4.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide
CID 134036840
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
CID 16794893
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide (CID 29359511) is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3occc3-c3ccccc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide?
The InChIKey is BIHGJODYMQBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12(24)21-14-7-8-16-17(11-14)27-20(22-16)23-19(25)18-15(9-10-26-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 29359511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).