N-(1-adamantyl)phenothiazine-10-carboxamide

C23H24N2OS — CID 3253193

IUPACN-(1-adamantyl)phenothiazine-10-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H24N2OS/c26-22(24-23-12-15-9-16(13-23)11-17(10-15)14-23)25-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)25/h1-8,15-17H,9-14H2,(H,24,26)
InChIKeyYTNHIPMOCAHDRX-UHFFFAOYSA-N
MW376.52 g/mol
LogP5.97
Rot. Bonds1

About N-(1-adamantyl)phenothiazine-10-carboxamide

N-(1-adamantyl)phenothiazine-10-carboxamide (PubChem CID 3253193) has the molecular formula C23H24N2OS and a molecular weight of 376.52 g/mol. Its IUPAC name is N-(1-adamantyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)phenothiazine-10-carboxamide
PubChem CID3253193
Molecular FormulaC23H24N2OS
Molecular Weight376.52 g/mol
Exact Mass376.16
IUPAC NameN-(1-adamantyl)phenothiazine-10-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H24N2OS/c26-22(24-23-12-15-9-16(13-23)11-17(10-15)14-23)25-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)25/h1-8,15-17H,9-14H2,(H,24,26)
InChIKeyYTNHIPMOCAHDRX-UHFFFAOYSA-N
XLogP5.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenothiazine-10-carboxamide
CID 98056824
N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 3218498
(2R)-N-(1-adamantyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682539
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
CID 4660551
N-(1-adamantyl)-4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 50805019
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
CID 4086597
N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide
CID 2045214
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
(2S)-N-(1-adamantyl)-6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682505
N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
CID 4928336

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(1-adamantyl)phenothiazine-10-carboxamide (CID 3253193) is N-(1-adamantyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(1-adamantyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(1-adamantyl)phenothiazine-10-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(1-adamantyl)phenothiazine-10-carboxamide?
The InChIKey is YTNHIPMOCAHDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-22(24-23-12-15-9-16(13-23)11-17(10-15)14-23)25-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)25/h1-8,15-17H,9-14H2,(H,24,26).
What are the key properties of N-(1-adamantyl)phenothiazine-10-carboxamide?
N-(1-adamantyl)phenothiazine-10-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 5.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 3253193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).