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

C21H18N2OS — CID 704266

IUPACN-(2-phenylethyl)phenothiazine-10-carboxamide
SMILESO=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
InChIKeyWGZJNOARAAPYBY-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.24
Rot. Bonds3

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

N-(2-phenylethyl)phenothiazine-10-carboxamide (PubChem CID 704266) has the molecular formula C21H18N2OS and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-phenylethyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)phenothiazine-10-carboxamide
PubChem CID704266
Molecular FormulaC21H18N2OS
Molecular Weight346.45 g/mol
Exact Mass346.11
IUPAC NameN-(2-phenylethyl)phenothiazine-10-carboxamide
SMILESO=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
InChIKeyWGZJNOARAAPYBY-UHFFFAOYSA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-ylphenothiazine-10-carboxamide
CID 704259
[4-[1-(10H-phenothiazin-2-yl)ethenyl]phenyl]urea
CID 141758658
N,N-diethyl-10H-phenothiazine-10-carboxamide
CID 705771
N-[2-(N'',N''-Diisopropylamino)ethyl]-1''Hphenothiazine-1''-carboxamide
CID 46229144
N-propyl-10H-phenothiazine-10-carboxamide
CID 1991974
N-butan-2-ylphenothiazine-10-carboxamide
CID 5150646
N-phenyl-10H-phenothiazine-10-carboxamide
CID 777336
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-[4-(methylthio)phenyl]urea
CID 6621533
Phenothiazin-10-yl(pyrrolidin-1-yl)methanone
CID 705773
N,N-dipropyl-10H-phenothiazine-10-carboxamide
CID 2235291
N-[2-(Piperidinyl)ethyl]-10H-phenothiazine-10-carboxamide
CID 9928503
N-[2-(Pyrrolidinyl)ethyl]-10H-phenothiazine-10-carboxamide
CID 10268794

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-phenylethyl)phenothiazine-10-carboxamide (CID 704266) is N-(2-phenylethyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-phenylethyl)phenothiazine-10-carboxamide is O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-phenylethyl)phenothiazine-10-carboxamide?
The InChIKey is WGZJNOARAAPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24).
What are the key properties of N-(2-phenylethyl)phenothiazine-10-carboxamide?
N-(2-phenylethyl)phenothiazine-10-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 704266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).