4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate

C17H18NO5S2- — CID 6971383

IUPAC4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C17H19NO5S2/c19-17(20)13-5-7-16(8-6-13)25(21,22)18(11-14-3-1-9-23-14)12-15-4-2-10-24-15/h2,4-8,10,14H,1,3,9,11-12H2,(H,19,20)/p-1/t14-/m1/s1
InChIKeyBYSQXYQCIQKQSU-CQSZACIVSA-M
MW380.47 g/mol
LogP1.48
Rot. Bonds7

About 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate

4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate (PubChem CID 6971383) has the molecular formula C17H18NO5S2- and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
PubChem CID6971383
Molecular FormulaC17H18NO5S2-
Molecular Weight380.47 g/mol
Exact Mass380.06
IUPAC Name4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C17H19NO5S2/c19-17(20)13-5-7-16(8-6-13)25(21,22)18(11-14-3-1-9-23-14)12-15-4-2-10-24-15/h2,4-8,10,14H,1,3,9,11-12H2,(H,19,20)/p-1/t14-/m1/s1
InChIKeyBYSQXYQCIQKQSU-CQSZACIVSA-M
XLogP1.48
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate with MolForge

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Related Compounds

4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564
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
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 112823045
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 39982795
4-[methyl(propan-2-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55507704
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1026590
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate (CID 6971383) is 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate is O=C([O-])c1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
The InChIKey is BYSQXYQCIQKQSU-CQSZACIVSA-M. The full InChI is InChI=1S/C17H19NO5S2/c19-17(20)13-5-7-16(8-6-13)25(21,22)18(11-14-3-1-9-23-14)12-15-4-2-10-24-15/h2,4-8,10,14H,1,3,9,11-12H2,(H,19,20)/p-1/t14-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate?
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate has a molecular weight of 380.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate is sourced from PubChem (CID 6971383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).