2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide

C24H25N3O3S — CID 15091136

IUPAC2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide
SMILESCNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)C(C(=O)NC)C1c1ccc(OC)cc1
InChIInChI=1S/C24H25N3O3S/c1-13-18(23(28)25-2)19(14-9-11-15(30-4)12-10-14)20(24(29)26-3)21-22(13)31-17-8-6-5-7-16(17)27-21/h5-12,19-20,27H,1-4H3,(H,25,28)(H,26,29)
InChIKeyUWRCHTZWYSAPHF-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide

2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide (PubChem CID 15091136) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide
PubChem CID15091136
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide
SMILESCNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)C(C(=O)NC)C1c1ccc(OC)cc1
InChIInChI=1S/C24H25N3O3S/c1-13-18(23(28)25-2)19(14-9-11-15(30-4)12-10-14)20(24(29)26-3)21-22(13)31-17-8-6-5-7-16(17)27-21/h5-12,19-20,27H,1-4H3,(H,25,28)(H,26,29)
InChIKeyUWRCHTZWYSAPHF-UHFFFAOYSA-N
XLogP3.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide (CID 15091136) is 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide is CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)C(C(=O)NC)C1c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide?
The InChIKey is UWRCHTZWYSAPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-13-18(23(28)25-2)19(14-9-11-15(30-4)12-10-14)20(24(29)26-3)21-22(13)31-17-8-6-5-7-16(17)27-21/h5-12,19-20,27H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide?
2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-N,3-N,4-trimethyl-2,10-dihydro-1H-phenothiazine-1,3-dicarboxamide is sourced from PubChem (CID 15091136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).