2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C21H29N3O6S — CID 95090552

IUPAC2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NC[C@H]1CCCO1
InChIInChI=1S/C21H29N3O6S/c25-20(22-14-17-4-2-10-30-17)15-24-19-7-6-18(13-16(19)3-1-5-21(24)26)31(27,28)23-8-11-29-12-9-23/h6-7,13,17H,1-5,8-12,14-15H2,(H,22,25)/t17-/m1/s1
InChIKeyVGGCPUOKYQQVBB-QGZVFWFLSA-N
MW451.55 g/mol
LogP0.67
Rot. Bonds6

About 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 95090552) has the molecular formula C21H29N3O6S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID95090552
Molecular FormulaC21H29N3O6S
Molecular Weight451.55 g/mol
Exact Mass451.18
IUPAC Name2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1C(=O)CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NC[C@H]1CCCO1
InChIInChI=1S/C21H29N3O6S/c25-20(22-14-17-4-2-10-30-17)15-24-19-7-6-18(13-16(19)3-1-5-21(24)26)31(27,28)23-8-11-29-12-9-23/h6-7,13,17H,1-5,8-12,14-15H2,(H,22,25)/t17-/m1/s1
InChIKeyVGGCPUOKYQQVBB-QGZVFWFLSA-N
XLogP0.67
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
2-[7-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 53087930
2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 20903392
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8599738
2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-propylacetamide
CID 53122441
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
N-benzyl-2-(2-oxo-7-pyrrolidin-1-ylsulfonyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 53122364
N-(2-methoxyethyl)-2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 53122448
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7425655
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679

Frequently Asked Questions

What is the IUPAC name of 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 95090552) is 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CN1C(=O)CCCc2cc(S(=O)(=O)N3CCOCC3)ccc21)NC[C@H]1CCCO1.
What is the InChIKey of 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is VGGCPUOKYQQVBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O6S/c25-20(22-14-17-4-2-10-30-17)15-24-19-7-6-18(13-16(19)3-1-5-21(24)26)31(27,28)23-8-11-29-12-9-23/h6-7,13,17H,1-5,8-12,14-15H2,(H,22,25)/t17-/m1/s1.
What are the key properties of 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95090552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).