N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H23N3O5S — CID 10110385

IUPACN-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc3c(c2)CCN(S(C)(=O)=O)CC3)C(=O)O1
InChIInChI=1S/C17H23N3O5S/c1-12(21)18-10-16-11-20(17(22)25-16)15-4-3-13-5-7-19(26(2,23)24)8-6-14(13)9-15/h3-4,9,16H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyKNQXSHPUOUEDFR-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.51
Rot. Bonds4

About N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10110385) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10110385
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC NameN-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc3c(c2)CCN(S(C)(=O)=O)CC3)C(=O)O1
InChIInChI=1S/C17H23N3O5S/c1-12(21)18-10-16-11-20(17(22)25-16)15-4-3-13-5-7-19(26(2,23)24)8-6-14(13)9-15/h3-4,9,16H,5-8,10-11H2,1-2H3,(H,18,21)
InChIKeyKNQXSHPUOUEDFR-UHFFFAOYSA-N
XLogP0.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10448522
N-[[3-(2-acetyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10154607
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[(5S)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10156789
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10110385) is N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc3c(c2)CCN(S(C)(=O)=O)CC3)C(=O)O1.
What is the InChIKey of N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is KNQXSHPUOUEDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-12(21)18-10-16-11-20(17(22)25-16)15-4-3-13-5-7-19(26(2,23)24)8-6-14(13)9-15/h3-4,9,16H,5-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10110385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).