2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid

C14H20N2O5S — CID 99982781

IUPAC2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid
SMILESC=CCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O5S/c1-4-7-15-22(19,20)11-5-6-13(12(8-11)14(17)18)16-10(2)9-21-3/h4-6,8,10,15-16H,1,7,9H2,2-3H3,(H,17,18)/t10-/m1/s1
InChIKeyILJUQDVOOKXFQL-SNVBAGLBSA-N
MW328.39 g/mol
LogP1.30
Rot. Bonds9

About 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid

2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid (PubChem CID 99982781) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid
PubChem CID99982781
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid
SMILESC=CCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O5S/c1-4-7-15-22(19,20)11-5-6-13(12(8-11)14(17)18)16-10(2)9-21-3/h4-6,8,10,15-16H,1,7,9H2,2-3H3,(H,17,18)/t10-/m1/s1
InChIKeyILJUQDVOOKXFQL-SNVBAGLBSA-N
XLogP1.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(pentylsulfamoyl)benzoic acid
CID 99986315
2-(1-methoxypropan-2-ylamino)-5-(2-phenylethylsulfamoyl)benzoic acid
CID 132659590
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984785
4-(1-methoxypropan-2-ylamino)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 132651311
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99987086
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-(3-ethoxypropylamino)-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982757
2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982018
2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99988329
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid?
The IUPAC name of 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid (CID 99982781) is 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid?
The canonical SMILES for 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid is C=CCNS(=O)(=O)c1ccc(N[C@H](C)COC)c(C(=O)O)c1.
What is the InChIKey of 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid?
The InChIKey is ILJUQDVOOKXFQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-4-7-15-22(19,20)11-5-6-13(12(8-11)14(17)18)16-10(2)9-21-3/h4-6,8,10,15-16H,1,7,9H2,2-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid?
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid has a molecular weight of 328.39 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid is sourced from PubChem (CID 99982781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).