N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide

C21H18N2O2S — CID 56923247

IUPACN-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
SMILESCOCc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C21H18N2O2S/c1-25-14-15-7-6-8-16(13-15)22-21(24)23-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyIVVNJXGUIFSDPA-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.67
Rot. Bonds3

About N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide

N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide (PubChem CID 56923247) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
PubChem CID56923247
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
SMILESCOCc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C21H18N2O2S/c1-25-14-15-7-6-8-16(13-15)22-21(24)23-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyIVVNJXGUIFSDPA-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
N-[3-(methoxymethyl)phenyl]azepane-1-carboxamide
CID 115581934
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
CID 27184279
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(methoxymethyl)phenyl]acetamide
CID 33288226
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide (CID 56923247) is N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide is COCc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide?
The InChIKey is IVVNJXGUIFSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-25-14-15-7-6-8-16(13-15)22-21(24)23-17-9-2-4-11-19(17)26-20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide?
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 56923247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).