N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide

C21H18N2O2S — CID 142511965

IUPACN-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide
SMILESCc1ccc(C(=O)N2CCc3cc(NC=O)sc3-c3ccccc32)cc1
InChIInChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)21(25)23-11-10-16-12-19(22-13-24)26-20(16)17-4-2-3-5-18(17)23/h2-9,12-13H,10-11H2,1H3,(H,22,24)
InChIKeyAEHLIAQFFTTWDP-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.49
Rot. Bonds3

About N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide

N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide (PubChem CID 142511965) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide
PubChem CID142511965
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide
SMILESCc1ccc(C(=O)N2CCc3cc(NC=O)sc3-c3ccccc32)cc1
InChIInChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)21(25)23-11-10-16-12-19(22-13-24)26-20(16)17-4-2-3-5-18(17)23/h2-9,12-13H,10-11H2,1H3,(H,22,24)
InChIKeyAEHLIAQFFTTWDP-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-(4-nitrophenyl)methanone
CID 130187500
3-fluoro-6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid
CID 137389041
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
[8-fluoro-2-[1-(2-methylanilino)ethenyl]-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl]-(4-methylphenyl)methanone
CID 142512188
2-(2-fluorophenyl)-1-[6-(4-nitrobenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]ethanone
CID 159730946
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)-2-methylbenzonitrile
CID 25179154
N-[4-[2-[2-(2-fluoro-6-methylphenyl)acetyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2,5-dimethylpyridine-3-carboxamide
CID 158280937
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
6-[6-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carbaldehyde
CID 167045617
ethyl 6-(4-aminobenzoyl)-4,5-dihydrofuro[3,2-d][1]benzazepine-2-carboxylate
CID 137389187
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide?
The IUPAC name of N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide (CID 142511965) is N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide.
What is the SMILES notation for N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide?
The canonical SMILES for N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide is Cc1ccc(C(=O)N2CCc3cc(NC=O)sc3-c3ccccc32)cc1.
What is the InChIKey of N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide?
The InChIKey is AEHLIAQFFTTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)21(25)23-11-10-16-12-19(22-13-24)26-20(16)17-4-2-3-5-18(17)23/h2-9,12-13H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide?
N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide has a molecular weight of 362.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylbenzoyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]formamide is sourced from PubChem (CID 142511965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).