N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide

C21H18N2OS — CID 705761

IUPACN-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
SMILESC[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1
InChIInChI=1S/C21H18N2OS/c1-15(16-9-3-2-4-10-16)22-21(24)23-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)23/h2-15H,1H3,(H,22,24)/t15-/m0/s1
InChIKeyVILKVBQVVXZVAU-HNNXBMFYSA-N
MW346.46 g/mol
LogP5.76
Rot. Bonds2

About N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide

N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide (PubChem CID 705761) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
PubChem CID705761
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
SMILESC[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1
InChIInChI=1S/C21H18N2OS/c1-15(16-9-3-2-4-10-16)22-21(24)23-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)23/h2-15H,1H3,(H,22,24)/t15-/m0/s1
InChIKeyVILKVBQVVXZVAU-HNNXBMFYSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]phenothiazine-10-carboxamide
CID 92674241
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-phenothiazin-10-ylpropanoate
CID 2368197
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenothiazin-10-ylpropanoate
CID 4648149
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92657358
2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide
CID 156601403
1-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(1-phenylethyl)urea
CID 4050279
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
CID 4086597
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide (CID 705761) is N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide is C[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide?
The InChIKey is VILKVBQVVXZVAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-15(16-9-3-2-4-10-16)22-21(24)23-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)23/h2-15H,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide?
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 705761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).