4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide

C24H25N3O4S2 — CID 142577825

IUPAC4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C1CCCc2cc(S(=O)(=O)NCc3ccc(C(=O)NCCc4cccs4)cc3)ccc2N1
InChIInChI=1S/C24H25N3O4S2/c28-23-5-1-3-19-15-21(10-11-22(19)27-23)33(30,31)26-16-17-6-8-18(9-7-17)24(29)25-13-12-20-4-2-14-32-20/h2,4,6-11,14-15,26H,1,3,5,12-13,16H2,(H,25,29)(H,27,28)
InChIKeyBFKTYYRYHLLNJY-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.47
Rot. Bonds8

About 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide

4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 142577825) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID142577825
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC Name4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C1CCCc2cc(S(=O)(=O)NCc3ccc(C(=O)NCCc4cccs4)cc3)ccc2N1
InChIInChI=1S/C24H25N3O4S2/c28-23-5-1-3-19-15-21(10-11-22(19)27-23)33(30,31)26-16-17-6-8-18(9-7-17)24(29)25-13-12-20-4-2-14-32-20/h2,4,6-11,14-15,26H,1,3,5,12-13,16H2,(H,25,29)(H,27,28)
InChIKeyBFKTYYRYHLLNJY-UHFFFAOYSA-N
XLogP3.47
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-[[4-(3-pyridin-4-ylpropanoyl)phenyl]methyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 161156578
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[2-[[(2R)-butan-2-yl]-(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92723797
N-[2-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92723798
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-[2-(4-methylphenyl)ethyl]-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]propanamide
CID 46282286
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20937269
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335986
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide (CID 142577825) is 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide is O=C1CCCc2cc(S(=O)(=O)NCc3ccc(C(=O)NCCc4cccs4)cc3)ccc2N1.
What is the InChIKey of 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is BFKTYYRYHLLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c28-23-5-1-3-19-15-21(10-11-22(19)27-23)33(30,31)26-16-17-6-8-18(9-7-17)24(29)25-13-12-20-4-2-14-32-20/h2,4,6-11,14-15,26H,1,3,5,12-13,16H2,(H,25,29)(H,27,28).
What are the key properties of 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide?
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 483.62 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 142577825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).