2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid

C20H24N2O5S — CID 99984746

IUPAC2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C20H24N2O5S/c23-20(24)18-13-17(8-9-19(18)21-14-16-7-4-12-27-16)28(25,26)22-11-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,16,21-22H,4,7,10-12,14H2,(H,23,24)/t16-/m1/s1
InChIKeyJEPNLSVQUZHDRR-MRXNPFEDSA-N
MW404.49 g/mol
LogP2.50
Rot. Bonds9

About 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid

2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 99984746) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID99984746
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C20H24N2O5S/c23-20(24)18-13-17(8-9-19(18)21-14-16-7-4-12-27-16)28(25,26)22-11-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,16,21-22H,4,7,10-12,14H2,(H,23,24)/t16-/m1/s1
InChIKeyJEPNLSVQUZHDRR-MRXNPFEDSA-N
XLogP2.50
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983421
5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99982875
2-[[(2S)-oxolan-2-yl]methylamino]-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986124
2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133167657
5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983158
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
2-(furan-2-ylmethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144397
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid (CID 99984746) is 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NC[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is JEPNLSVQUZHDRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O5S/c23-20(24)18-13-17(8-9-19(18)21-14-16-7-4-12-27-16)28(25,26)22-11-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,16,21-22H,4,7,10-12,14H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid?
2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 404.49 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 99984746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).