N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide

C16H24N2O3S — CID 71984178

IUPACN,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C16H24N2O3S/c1-3-18(4-2)22(20,21)13-16(19)17-11-9-14-7-5-6-8-15(14)10-12-17/h5-8H,3-4,9-13H2,1-2H3
InChIKeyRGRRVXSMLNURMB-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.29
Rot. Bonds5

About N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide

N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide (PubChem CID 71984178) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide
PubChem CID71984178
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C16H24N2O3S/c1-3-18(4-2)22(20,21)13-16(19)17-11-9-14-7-5-6-8-15(14)10-12-17/h5-8H,3-4,9-13H2,1-2H3
InChIKeyRGRRVXSMLNURMB-UHFFFAOYSA-N
XLogP1.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
4-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 45372098
N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 119403914
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
3-sulfanyl-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 107030708
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
2-propan-2-yloxy-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 112691124
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfanylethanone
CID 66494888
N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
CID 95903641

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide?
The IUPAC name of N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide (CID 71984178) is N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide.
What is the SMILES notation for N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide?
The canonical SMILES for N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide is CCN(CC)S(=O)(=O)CC(=O)N1CCc2ccccc2CC1.
What is the InChIKey of N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide?
The InChIKey is RGRRVXSMLNURMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-18(4-2)22(20,21)13-16(19)17-11-9-14-7-5-6-8-15(14)10-12-17/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide?
N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide is sourced from PubChem (CID 71984178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).