N-(4-methylphenyl)phenothiazine-10-carboxamide

C20H16N2OS — CID 934131

IUPACN-(4-methylphenyl)phenothiazine-10-carboxamide
SMILESCc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H16N2OS/c1-14-10-12-15(13-11-14)21-20(23)22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23)
InChIKeyAGRMZLFVKVZKOP-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.83
Rot. Bonds1

About N-(4-methylphenyl)phenothiazine-10-carboxamide

N-(4-methylphenyl)phenothiazine-10-carboxamide (PubChem CID 934131) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4-methylphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)phenothiazine-10-carboxamide
PubChem CID934131
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-(4-methylphenyl)phenothiazine-10-carboxamide
SMILESCc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H16N2OS/c1-14-10-12-15(13-11-14)21-20(23)22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23)
InChIKeyAGRMZLFVKVZKOP-UHFFFAOYSA-N
XLogP5.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-methylphenyl)phenothiazine-10-carboxamide (CID 934131) is N-(4-methylphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-methylphenyl)phenothiazine-10-carboxamide is Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)phenothiazine-10-carboxamide?
The InChIKey is AGRMZLFVKVZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-14-10-12-15(13-11-14)21-20(23)22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)phenothiazine-10-carboxamide?
N-(4-methylphenyl)phenothiazine-10-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 5.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 934131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).