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

C21H18N2O2S — CID 1072458

IUPACN-(2-ethoxyphenyl)phenothiazine-10-carboxamide
SMILESCCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H18N2O2S/c1-2-25-18-12-6-3-9-15(18)22-21(24)23-16-10-4-7-13-19(16)26-20-14-8-5-11-17(20)23/h3-14H,2H2,1H3,(H,22,24)
InChIKeyFYNUZULLPZMHMS-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.92
Rot. Bonds3

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

N-(2-ethoxyphenyl)phenothiazine-10-carboxamide (PubChem CID 1072458) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)phenothiazine-10-carboxamide
PubChem CID1072458
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(2-ethoxyphenyl)phenothiazine-10-carboxamide
SMILESCCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H18N2O2S/c1-2-25-18-12-6-3-9-15(18)22-21(24)23-16-10-4-7-13-19(16)26-20-14-8-5-11-17(20)23/h3-14H,2H2,1H3,(H,22,24)
InChIKeyFYNUZULLPZMHMS-UHFFFAOYSA-N
XLogP5.92
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 ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10H-Phenothiazine, 10-(phenoxyacetyl)-
CID 667799
N-(4-ethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 972027
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 2441315
2-(4-methoxyphenoxy)-1-(10H-phenothiazin-10-yl)ethanone
CID 607829
4-(2-Methoxyphenyl)piperazinyl phenothiazin-10-yl ketone
CID 1882551
N-(2-hydroxyphenyl)-10H-phenothiazine-10-carboxamide
CID 726962
2-(4-acetamidophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 2122677
N-(2-butoxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
CID 2911632
N-(2,5-dimethoxyphenyl)-10H-phenothiazine-10-carboxamide
CID 4194410
N-(2-Ethoxyphenyl)-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018061
N-(2-Methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018237
2-(5,5-dioxophenothiazin-10-yl)-N-(2-ethoxyphenyl)acetamide
CID 16026667

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)phenothiazine-10-carboxamide (CID 1072458) is N-(2-ethoxyphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)phenothiazine-10-carboxamide is CCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-ethoxyphenyl)phenothiazine-10-carboxamide?
The InChIKey is FYNUZULLPZMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-2-25-18-12-6-3-9-15(18)22-21(24)23-16-10-4-7-13-19(16)26-20-14-8-5-11-17(20)23/h3-14H,2H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)phenothiazine-10-carboxamide?
N-(2-ethoxyphenyl)phenothiazine-10-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 1072458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).