N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C21H20N2O3S — CID 86858133

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCC(C)c3nc4ccccc4s3)coc2c1
InChIInChI=1S/C21H20N2O3S/c1-13(21-23-17-5-3-4-6-19(17)27-21)11-22-20(24)9-14-12-26-18-10-15(25-2)7-8-16(14)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24)
InChIKeySPXOGOLYPVRODN-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 86858133) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID86858133
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCC(C)c3nc4ccccc4s3)coc2c1
InChIInChI=1S/C21H20N2O3S/c1-13(21-23-17-5-3-4-6-19(17)27-21)11-22-20(24)9-14-12-26-18-10-15(25-2)7-8-16(14)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24)
InChIKeySPXOGOLYPVRODN-UHFFFAOYSA-N
XLogP4.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 51333318
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55747538
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
N-[(1S)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9049656
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
[(1R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504369
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 86860574
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 86858133) is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NCC(C)c3nc4ccccc4s3)coc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is SPXOGOLYPVRODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13(21-23-17-5-3-4-6-19(17)27-21)11-22-20(24)9-14-12-26-18-10-15(25-2)7-8-16(14)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 86858133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).