N-(2-hydroxyphenyl)phenothiazine-10-carboxamide

C19H14N2O2S — CID 726962

IUPACN-(2-hydroxyphenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccccc1O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H14N2O2S/c22-16-10-4-1-7-13(16)20-19(23)21-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)21/h1-12,22H,(H,20,23)
InChIKeyQTIPDJQWFCESPB-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.23
Rot. Bonds1

About N-(2-hydroxyphenyl)phenothiazine-10-carboxamide

N-(2-hydroxyphenyl)phenothiazine-10-carboxamide (PubChem CID 726962) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)phenothiazine-10-carboxamide
PubChem CID726962
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-(2-hydroxyphenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccccc1O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H14N2O2S/c22-16-10-4-1-7-13(16)20-19(23)21-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)21/h1-12,22H,(H,20,23)
InChIKeyQTIPDJQWFCESPB-UHFFFAOYSA-N
XLogP5.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 1072458
CID 1072458
CID 806725
CID 806725
CID 608056
CID 608056
CID 129904496
CID 129904496
CID 71420966
CID 71420966
CID 22007959
CID 22007959
CID 59609592
CID 59609592
CID 59609598
CID 59609598
CID 69186509
CID 69186509
CID 69573228
CID 69573228
CID 69640497
CID 69640497
CID 71285349
CID 71285349

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)phenothiazine-10-carboxamide (CID 726962) is N-(2-hydroxyphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)phenothiazine-10-carboxamide is O=C(Nc1ccccc1O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-hydroxyphenyl)phenothiazine-10-carboxamide?
The InChIKey is QTIPDJQWFCESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-16-10-4-1-7-13(16)20-19(23)21-14-8-2-5-11-17(14)24-18-12-6-3-9-15(18)21/h1-12,22H,(H,20,23).
What are the key properties of N-(2-hydroxyphenyl)phenothiazine-10-carboxamide?
N-(2-hydroxyphenyl)phenothiazine-10-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 5.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 726962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).