N-(furan-2-ylmethyl)phenothiazine-10-carboxamide

C18H14N2O2S — CID 704262

IUPACN-(furan-2-ylmethyl)phenothiazine-10-carboxamide
SMILESO=C(NCc1ccco1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H14N2O2S/c21-18(19-12-13-6-5-11-22-13)20-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)20/h1-11H,12H2,(H,19,21)
InChIKeyNXCSKPGYAZOLMS-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.79
Rot. Bonds2

About N-(furan-2-ylmethyl)phenothiazine-10-carboxamide

N-(furan-2-ylmethyl)phenothiazine-10-carboxamide (PubChem CID 704262) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)phenothiazine-10-carboxamide
PubChem CID704262
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(furan-2-ylmethyl)phenothiazine-10-carboxamide
SMILESO=C(NCc1ccco1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H14N2O2S/c21-18(19-12-13-6-5-11-22-13)20-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)20/h1-11H,12H2,(H,19,21)
InChIKeyNXCSKPGYAZOLMS-UHFFFAOYSA-N
XLogP4.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)phenothiazine-10-carboxamide (CID 704262) is N-(furan-2-ylmethyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)phenothiazine-10-carboxamide is O=C(NCc1ccco1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)phenothiazine-10-carboxamide?
The InChIKey is NXCSKPGYAZOLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(19-12-13-6-5-11-22-13)20-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)20/h1-11H,12H2,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)phenothiazine-10-carboxamide?
N-(furan-2-ylmethyl)phenothiazine-10-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 704262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).