2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid

C19H24N2O5S — CID 132659590

IUPAC2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid
SMILESCOCC(C)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O
InChIInChI=1S/C19H24N2O5S/c1-14(13-26-2)21-18-9-8-16(12-17(18)19(22)23)27(24,25)20-11-10-15-6-4-3-5-7-15/h3-9,12,14,20-21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyMBPOVOQOFNJUJC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.35
Rot. Bonds10

About 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid

2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 132659590) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID132659590
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid
SMILESCOCC(C)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O
InChIInChI=1S/C19H24N2O5S/c1-14(13-26-2)21-18-9-8-16(12-17(18)19(22)23)27(24,25)20-11-10-15-6-4-3-5-7-15/h3-9,12,14,20-21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyMBPOVOQOFNJUJC-UHFFFAOYSA-N
XLogP2.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984785
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(pentylsulfamoyl)benzoic acid
CID 99986315
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982781
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99987086
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
2-(1-methoxypropan-2-ylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144403
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985676
2-(benzylamino)-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986088
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
5-(3-hydroxypropylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983704

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid (CID 132659590) is 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid is COCC(C)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is MBPOVOQOFNJUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(13-26-2)21-18-9-8-16(12-17(18)19(22)23)27(24,25)20-11-10-15-6-4-3-5-7-15/h3-9,12,14,20-21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid?
2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 392.48 g/mol, XLogP of 2.35, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 132659590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).