N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide

C19H14N2O3S — CID 16749979

IUPACN-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1
InChIInChI=1S/C19H14N2O3S/c22-18(20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)21-19(23)16-5-1-2-6-17(16)25-21/h1-11H,12H2,(H,20,22)
InChIKeyHRFSFFXXTXEMAV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.58
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide

N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide (PubChem CID 16749979) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide
PubChem CID16749979
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1
InChIInChI=1S/C19H14N2O3S/c22-18(20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)21-19(23)16-5-1-2-6-17(16)25-21/h1-11H,12H2,(H,20,22)
InChIKeyHRFSFFXXTXEMAV-UHFFFAOYSA-N
XLogP3.58
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide (CID 16749979) is N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide is O=C(NCc1ccco1)c1ccc(-n2sc3ccccc3c2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The InChIKey is HRFSFFXXTXEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-18(20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)21-19(23)16-5-1-2-6-17(16)25-21/h1-11H,12H2,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-oxo-1,2-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16749979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).