N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide

C21H18N2O2S — CID 2006807

IUPACN-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide
SMILESCOc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H18N2O2S/c1-25-16-12-10-15(11-13-16)14-22-21(24)23-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyTXWWQVSUOWWONA-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.21
Rot. Bonds3

About N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide

N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide (PubChem CID 2006807) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide
PubChem CID2006807
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide
SMILESCOc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C21H18N2O2S/c1-25-16-12-10-15(11-13-16)14-22-21(24)23-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyTXWWQVSUOWWONA-UHFFFAOYSA-N
XLogP5.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide (CID 2006807) is N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide is COc1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide?
The InChIKey is TXWWQVSUOWWONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-25-16-12-10-15(11-13-16)14-22-21(24)23-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)23/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide?
N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 2006807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).