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

C16H26N2O5S — CID 99987086

IUPAC5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
SMILESCCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O
InChIInChI=1S/C16H26N2O5S/c1-5-6-11(2)17-15-8-7-13(9-14(15)16(19)20)24(21,22)18-12(3)10-23-4/h7-9,11-12,17-18H,5-6,10H2,1-4H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyCQPGFUBWYXRBFZ-VXGBXAGGSA-N
MW358.46 g/mol
LogP2.30
Rot. Bonds10

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

5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid (PubChem CID 99987086) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
PubChem CID99987086
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid
SMILESCCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O
InChIInChI=1S/C16H26N2O5S/c1-5-6-11(2)17-15-8-7-13(9-14(15)16(19)20)24(21,22)18-12(3)10-23-4/h7-9,11-12,17-18H,5-6,10H2,1-4H3,(H,19,20)/t11-,12-/m1/s1
InChIKeyCQPGFUBWYXRBFZ-VXGBXAGGSA-N
XLogP2.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid with MolForge

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Related Compounds

2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
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
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(pentylsulfamoyl)benzoic acid
CID 99986315
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
2-(3-ethoxypropylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99987044
2-(pentan-2-ylamino)-5-(pentylsulfamoyl)benzoic acid
CID 132653822
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651451
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-(prop-2-enylsulfamoyl)benzoic acid
CID 99982781

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid?
The IUPAC name of 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid (CID 99987086) is 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid.
What is the SMILES notation for 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid?
The canonical SMILES for 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid is CCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1C(=O)O.
What is the InChIKey of 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid?
The InChIKey is CQPGFUBWYXRBFZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-5-6-11(2)17-15-8-7-13(9-14(15)16(19)20)24(21,22)18-12(3)10-23-4/h7-9,11-12,17-18H,5-6,10H2,1-4H3,(H,19,20)/t11-,12-/m1/s1.
What are the key properties of 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid?
5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid has a molecular weight of 358.46 g/mol, XLogP of 2.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-2-[[(2R)-pentan-2-yl]amino]benzoic acid is sourced from PubChem (CID 99987086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).