N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide

C19H22N2O4S — CID 19082170

IUPACN-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)NCCc2ccc(O)c3[nH]c(=O)sc23)o1
InChIInChI=1S/C19H22N2O4S/c1-12-6-8-14(25-12)4-2-3-5-16(23)20-11-10-13-7-9-15(22)17-18(13)26-19(24)21-17/h6-9,22H,2-5,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyDVWCAFHAUGVKAY-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide

N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide (PubChem CID 19082170) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide
PubChem CID19082170
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)NCCc2ccc(O)c3[nH]c(=O)sc23)o1
InChIInChI=1S/C19H22N2O4S/c1-12-6-8-14(25-12)4-2-3-5-16(23)20-11-10-13-7-9-15(22)17-18(13)26-19(24)21-17/h6-9,22H,2-5,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyDVWCAFHAUGVKAY-UHFFFAOYSA-N
XLogP3.27
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide?
The IUPAC name of N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide (CID 19082170) is N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide.
What is the SMILES notation for N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide?
The canonical SMILES for N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide is Cc1ccc(CCCCC(=O)NCCc2ccc(O)c3[nH]c(=O)sc23)o1.
What is the InChIKey of N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide?
The InChIKey is DVWCAFHAUGVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-6-8-14(25-12)4-2-3-5-16(23)20-11-10-13-7-9-15(22)17-18(13)26-19(24)21-17/h6-9,22H,2-5,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide?
N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide has a molecular weight of 374.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-(5-methylfuran-2-yl)pentanamide is sourced from PubChem (CID 19082170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).