ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide

C26H41N3O3S — CID 143112455

IUPACethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide
SMILESCC.CC.COCCNC(=O)C(CC(C)C)NC(=O)C1=CC2Nc3ccccc3SC2C=C1
InChIInChI=1S/C22H29N3O3S.2C2H6/c1-14(2)12-18(22(27)23-10-11-28-3)25-21(26)15-8-9-20-17(13-15)24-16-6-4-5-7-19(16)29-20;2*1-2/h4-9,13-14,17-18,20,24H,10-12H2,1-3H3,(H,23,27)(H,25,26);2*1-2H3
InChIKeyLYMMAAUXSUTSLE-UHFFFAOYSA-N
MW475.70 g/mol
LogP4.78
Rot. Bonds8

About ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide

ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide (PubChem CID 143112455) has the molecular formula C26H41N3O3S and a molecular weight of 475.70 g/mol. Its IUPAC name is ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide
PubChem CID143112455
Molecular FormulaC26H41N3O3S
Molecular Weight475.70 g/mol
Exact Mass475.29
IUPAC Nameethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide
SMILESCC.CC.COCCNC(=O)C(CC(C)C)NC(=O)C1=CC2Nc3ccccc3SC2C=C1
InChIInChI=1S/C22H29N3O3S.2C2H6/c1-14(2)12-18(22(27)23-10-11-28-3)25-21(26)15-8-9-20-17(13-15)24-16-6-4-5-7-19(16)29-20;2*1-2/h4-9,13-14,17-18,20,24H,10-12H2,1-3H3,(H,23,27)(H,25,26);2*1-2H3
InChIKeyLYMMAAUXSUTSLE-UHFFFAOYSA-N
XLogP4.78
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.70
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-4-methyl-1-[[(1S)-2-methylcyclopentyl]amino]-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide
CID 59258479
N-[(2R)-4-methyl-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide
CID 59258476
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7435863
N-[(2S)-4-methyl-1-[2-[(3S)-5-methyl-2-oxohexan-3-yl]oxyethylamino]-1-oxopentan-2-yl]benzamide
CID 67703459
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
3-[[(2S)-1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]carbamoylamino]propanoic acid
CID 122018058
N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46449236
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
1-N-(2-methoxyethyl)-4-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146508
2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119536547

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide?
The IUPAC name of ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide (CID 143112455) is ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide.
What is the SMILES notation for ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide?
The canonical SMILES for ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide is CC.CC.COCCNC(=O)C(CC(C)C)NC(=O)C1=CC2Nc3ccccc3SC2C=C1.
What is the InChIKey of ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide?
The InChIKey is LYMMAAUXSUTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S.2C2H6/c1-14(2)12-18(22(27)23-10-11-28-3)25-21(26)15-8-9-20-17(13-15)24-16-6-4-5-7-19(16)29-20;2*1-2/h4-9,13-14,17-18,20,24H,10-12H2,1-3H3,(H,23,27)(H,25,26);2*1-2H3.
What are the key properties of ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide?
ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide has a molecular weight of 475.70 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide is sourced from PubChem (CID 143112455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).