N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C18H28N2O3S — CID 46282011

IUPACN,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C18H28N2O3S/c1-3-5-12-20(13-6-4-2)24(22,23)16-10-11-17-15(14-16)8-7-9-18(21)19-17/h10-11,14H,3-9,12-13H2,1-2H3,(H,19,21)
InChIKeyVYEULEOFPQUMRJ-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.55
Rot. Bonds8

About N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 46282011) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID46282011
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C18H28N2O3S/c1-3-5-12-20(13-6-4-2)24(22,23)16-10-11-17-15(14-16)8-7-9-18(21)19-17/h10-11,14H,3-9,12-13H2,1-2H3,(H,19,21)
InChIKeyVYEULEOFPQUMRJ-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N,N-bis(prop-2-enyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 47029568
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119976551
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
N-(4-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282109
N-(2-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282108
N-benzyl-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282161
N,N-dibutyl-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281844
N-[3-(methylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119964840
N-(1-methylpiperidin-4-yl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 53299009
N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133
N-[4-(furan-2-yl)butan-2-yl]-N-methyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335942

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 46282011) is N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is VYEULEOFPQUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-5-12-20(13-6-4-2)24(22,23)16-10-11-17-15(14-16)8-7-9-18(21)19-17/h10-11,14H,3-9,12-13H2,1-2H3,(H,19,21).
What are the key properties of N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 352.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 46282011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).