N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide

C21H26N2OS — CID 94842488

IUPACN-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H26N2OS/c1-3-5-10-16(4-2)15-22-21(24)23-17-11-6-8-13-19(17)25-20-14-9-7-12-18(20)23/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyWUOGRXLJYPHJPG-INIZCTEOSA-N
MW354.52 g/mol
LogP6.22
Rot. Bonds6

About N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide

N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide (PubChem CID 94842488) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
PubChem CID94842488
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
SMILESCCCC[C@H](CC)CNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H26N2OS/c1-3-5-10-16(4-2)15-22-21(24)23-17-11-6-8-13-19(17)25-20-14-9-7-12-18(20)23/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyWUOGRXLJYPHJPG-INIZCTEOSA-N
XLogP6.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 95860551
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N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 55739531
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
CID 95571619
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
N-(2-ethylhexyl)-2-(2-ethylphenoxy)propanamide
CID 133235259
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide (CID 94842488) is N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide is CCCC[C@H](CC)CNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide?
The InChIKey is WUOGRXLJYPHJPG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-3-5-10-16(4-2)15-22-21(24)23-17-11-6-8-13-19(17)25-20-14-9-7-12-18(20)23/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide?
N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 94842488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).