N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

C23H32N4O4S2 — CID 20937269

IUPACN-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESO=C1CCCc2cc(S(=O)(=O)NCCN(CCN3CCOCC3)Cc3cccs3)ccc2N1
InChIInChI=1S/C23H32N4O4S2/c28-23-5-1-3-19-17-21(6-7-22(19)25-23)33(29,30)24-8-9-27(18-20-4-2-16-32-20)11-10-26-12-14-31-15-13-26/h2,4,6-7,16-17,24H,1,3,5,8-15,18H2,(H,25,28)
InChIKeyPBTNBYHSFIYCIT-UHFFFAOYSA-N
MW492.67 g/mol
LogP2.14
Rot. Bonds10

About N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (PubChem CID 20937269) has the molecular formula C23H32N4O4S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
PubChem CID20937269
Molecular FormulaC23H32N4O4S2
Molecular Weight492.67 g/mol
Exact Mass492.19
IUPAC NameN-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
SMILESO=C1CCCc2cc(S(=O)(=O)NCCN(CCN3CCOCC3)Cc3cccs3)ccc2N1
InChIInChI=1S/C23H32N4O4S2/c28-23-5-1-3-19-17-21(6-7-22(19)25-23)33(29,30)24-8-9-27(18-20-4-2-16-32-20)11-10-26-12-14-31-15-13-26/h2,4,6-7,16-17,24H,1,3,5,8-15,18H2,(H,25,28)
InChIKeyPBTNBYHSFIYCIT-UHFFFAOYSA-N
XLogP2.14
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106786
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 142577825
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
2-oxo-N-propyl-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106789
N-(2-morpholin-4-ylethyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 110285252
N-[2-[tert-butyl(furan-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335974
N-(1-methylpiperidin-4-yl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 53299009
7-[4-[methyl(3-morpholin-4-ylpropyl)amino]piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 46335935
N-(3-aminopropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 119962110

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The IUPAC name of N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide (CID 20937269) is N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide.
What is the SMILES notation for N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The canonical SMILES for N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is O=C1CCCc2cc(S(=O)(=O)NCCN(CCN3CCOCC3)Cc3cccs3)ccc2N1.
What is the InChIKey of N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
The InChIKey is PBTNBYHSFIYCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S2/c28-23-5-1-3-19-17-21(6-7-22(19)25-23)33(29,30)24-8-9-27(18-20-4-2-16-32-20)11-10-26-12-14-31-15-13-26/h2,4,6-7,16-17,24H,1,3,5,8-15,18H2,(H,25,28).
What are the key properties of N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide?
N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide has a molecular weight of 492.67 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide is sourced from PubChem (CID 20937269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).