N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide

C23H24N2OS — CID 69180077

IUPACN-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1csc2ccccc12
InChIInChI=1S/C23H24N2OS/c26-23(21-15-27-22-7-2-1-6-20(21)22)24-18-9-8-16-10-12-25(19-4-3-5-19)13-11-17(16)14-18/h1-2,6-9,14-15,19H,3-5,10-13H2,(H,24,26)
InChIKeyQVOKWPUJGWBFOV-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.11
Rot. Bonds3

About N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide

N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide (PubChem CID 69180077) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
PubChem CID69180077
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC NameN-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1csc2ccccc12
InChIInChI=1S/C23H24N2OS/c26-23(21-15-27-22-7-2-1-6-20(21)22)24-18-9-8-16-10-12-25(19-4-3-5-19)13-11-17(16)14-18/h1-2,6-9,14-15,19H,3-5,10-13H2,(H,24,26)
InChIKeyQVOKWPUJGWBFOV-UHFFFAOYSA-N
XLogP5.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)thiophene-3-carboxamide
CID 11472860
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,5-diphenylpyrazole-4-carboxamide;hydrochloride
CID 69182841
3-cyano-N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzamide
CID 69182070
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2,5-oxadiazole-3-carboxamide
CID 11738472
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 11234562
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
CID 44529387
N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide
CID 1247057
N-(4-aminophenyl)-1-benzothiophene-3-carboxamide
CID 55012552
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 69184943
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69182814
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 11258531
2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
CID 70320378

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide (CID 69180077) is N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide is O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1csc2ccccc12.
What is the InChIKey of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is QVOKWPUJGWBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-23(21-15-27-22-7-2-1-6-20(21)22)24-18-9-8-16-10-12-25(19-4-3-5-19)13-11-17(16)14-18/h1-2,6-9,14-15,19H,3-5,10-13H2,(H,24,26).
What are the key properties of N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide?
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 69180077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).