N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide

C21H18N2O3S — CID 4194410

IUPACN-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C21H18N2O3S/c1-25-14-11-12-18(26-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24)
InChIKeyQVMLVZQWHUAVPD-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.54
Rot. Bonds3

About N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide

N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide (PubChem CID 4194410) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
PubChem CID4194410
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C21H18N2O3S/c1-25-14-11-12-18(26-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24)
InChIKeyQVMLVZQWHUAVPD-UHFFFAOYSA-N
XLogP5.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907181
N-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295429
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295
N-(2,5-dimethoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185486
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
CID 20788204
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide (CID 4194410) is N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide is COc1ccc(OC)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide?
The InChIKey is QVMLVZQWHUAVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-25-14-11-12-18(26-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)27-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide?
N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 4194410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).