2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid

C13H20N2O5S — CID 99988329

IUPAC2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
SMILESCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-4-14-12-6-5-10(7-11(12)13(16)17)21(18,19)15-9(2)8-20-3/h5-7,9,14-15H,4,8H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyFYRMJRYUUOVQJX-SECBINFHSA-N
MW316.38 g/mol
LogP1.13
Rot. Bonds8

About 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid

2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 99988329) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
PubChem CID99988329
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
SMILESCCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O
InChIInChI=1S/C13H20N2O5S/c1-4-14-12-6-5-10(7-11(12)13(16)17)21(18,19)15-9(2)8-20-3/h5-7,9,14-15H,4,8H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyFYRMJRYUUOVQJX-SECBINFHSA-N
XLogP1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
2-(3-ethoxypropylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99987044
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99987086
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(3-propan-2-yloxypropylamino)benzoic acid
CID 99982395
5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
CID 99982166
2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651451
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(pentylsulfamoyl)benzoic acid
CID 99986315
3-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 16768421
2-(3-ethoxypropylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981822
2-(butylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981727
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982781

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid (CID 99988329) is 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid is CCNc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is FYRMJRYUUOVQJX-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-14-12-6-5-10(7-11(12)13(16)17)21(18,19)15-9(2)8-20-3/h5-7,9,14-15H,4,8H2,1-3H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid?
2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 316.38 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 99988329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).