6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide

C19H22N2O6S2 — CID 100648971

IUPAC6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1)OCC(=O)N2
InChIInChI=1S/C19H22N2O6S2/c1-25-17-8-15-16(27-12-19(22)20-15)9-18(17)29(23,24)21(10-13-4-2-6-26-13)11-14-5-3-7-28-14/h3,5,7-9,13H,2,4,6,10-12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyAQAPPAXHRZDNDP-ZDUSSCGKSA-N
MW438.53 g/mol
LogP2.46
Rot. Bonds7

About 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide

6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 100648971) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID100648971
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESCOc1cc2c(cc1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1)OCC(=O)N2
InChIInChI=1S/C19H22N2O6S2/c1-25-17-8-15-16(27-12-19(22)20-15)9-18(17)29(23,24)21(10-13-4-2-6-26-13)11-14-5-3-7-28-14/h3,5,7-9,13H,2,4,6,10-12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyAQAPPAXHRZDNDP-ZDUSSCGKSA-N
XLogP2.46
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide 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-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 112823045
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
3-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39982805
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46458741
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 39982795
6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 92683774
6-methyl-3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 6624144

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide (CID 100648971) is 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide is COc1cc2c(cc1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1)OCC(=O)N2.
What is the InChIKey of 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is AQAPPAXHRZDNDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-25-17-8-15-16(27-12-19(22)20-15)9-18(17)29(23,24)21(10-13-4-2-6-26-13)11-14-5-3-7-28-14/h3,5,7-9,13H,2,4,6,10-12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide?
6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 438.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 100648971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).