N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide

C20H20N2OS — CID 98056824

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H20N2OS/c23-20(21-15-12-13-9-10-14(15)11-13)22-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22/h1-8,13-15H,9-12H2,(H,21,23)/t13-,14-,15+/m1/s1
InChIKeyAIBNHSXHEALWEQ-KFWWJZLASA-N
MW336.46 g/mol
LogP5.19
Rot. Bonds1

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide (PubChem CID 98056824) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide
PubChem CID98056824
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H20N2OS/c23-20(21-15-12-13-9-10-14(15)11-13)22-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22/h1-8,13-15H,9-12H2,(H,21,23)/t13-,14-,15+/m1/s1
InChIKeyAIBNHSXHEALWEQ-KFWWJZLASA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide with MolForge

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Related Compounds

N-(1-adamantyl)phenothiazine-10-carboxamide
CID 3253193
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1-carboxamide
CID 115641993
2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-phenothiazin-10-ylethanone
CID 27026630
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide (CID 98056824) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide is O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide?
The InChIKey is AIBNHSXHEALWEQ-KFWWJZLASA-N. The full InChI is InChI=1S/C20H20N2OS/c23-20(21-15-12-13-9-10-14(15)11-13)22-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22/h1-8,13-15H,9-12H2,(H,21,23)/t13-,14-,15+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide is sourced from PubChem (CID 98056824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).