2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide

C19H19NO5S2 — CID 39982795

IUPAC2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)N(Cc3cccs3)C[C@@H]3CCCO3)ccc2o1
InChIInChI=1S/C19H19NO5S2/c21-19-8-5-14-11-17(6-7-18(14)25-19)27(22,23)20(12-15-3-1-9-24-15)13-16-4-2-10-26-16/h2,4-8,10-11,15H,1,3,9,12-13H2/t15-/m0/s1
InChIKeyWWWSHQALPWLBOT-HNNXBMFYSA-N
MW405.50 g/mol
LogP3.22
Rot. Bonds6

About 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide

2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide (PubChem CID 39982795) has the molecular formula C19H19NO5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
PubChem CID39982795
Molecular FormulaC19H19NO5S2
Molecular Weight405.50 g/mol
Exact Mass405.07
IUPAC Name2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)N(Cc3cccs3)C[C@@H]3CCCO3)ccc2o1
InChIInChI=1S/C19H19NO5S2/c21-19-8-5-14-11-17(6-7-18(14)25-19)27(22,23)20(12-15-3-1-9-24-15)13-16-4-2-10-26-16/h2,4-8,10-11,15H,1,3,9,12-13H2/t15-/m0/s1
InChIKeyWWWSHQALPWLBOT-HNNXBMFYSA-N
XLogP3.22
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46458741
3-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39982805
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
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-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
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 42955157
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
6-methoxy-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 100648971

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide (CID 39982795) is 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)N(Cc3cccs3)C[C@@H]3CCCO3)ccc2o1.
What is the InChIKey of 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
The InChIKey is WWWSHQALPWLBOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO5S2/c21-19-8-5-14-11-17(6-7-18(14)25-19)27(22,23)20(12-15-3-1-9-24-15)13-16-4-2-10-26-16/h2,4-8,10-11,15H,1,3,9,12-13H2/t15-/m0/s1.
What are the key properties of 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide?
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide is sourced from PubChem (CID 39982795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).