2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid

C15H24N2O4S — CID 99982018

IUPAC2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC[C@@H](C)Nc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O
InChIInChI=1S/C15H24N2O4S/c1-5-11(4)17-14-7-6-12(8-13(14)15(18)19)22(20,21)16-9-10(2)3/h6-8,10-11,16-17H,5,9H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyANPKKKCMTJKRPM-LLVKDONJSA-N
MW328.43 g/mol
LogP2.53
Rot. Bonds8

About 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid

2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid (PubChem CID 99982018) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
PubChem CID99982018
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC[C@@H](C)Nc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O
InChIInChI=1S/C15H24N2O4S/c1-5-11(4)17-14-7-6-12(8-13(14)15(18)19)22(20,21)16-9-10(2)3/h6-8,10-11,16-17H,5,9H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKeyANPKKKCMTJKRPM-LLVKDONJSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
CID 43088437
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-(pentan-2-ylamino)-5-(pentylsulfamoyl)benzoic acid
CID 132653822
2-[[(2S)-butan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985387
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
5-(butylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 99981853
2-(2-methylpropylamino)-5-(pentylsulfamoyl)benzoic acid
CID 99986187
2-(3-ethoxypropylamino)-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982109
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid?
The IUPAC name of 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid (CID 99982018) is 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid is CC[C@@H](C)Nc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)O.
What is the InChIKey of 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid?
The InChIKey is ANPKKKCMTJKRPM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-11(4)17-14-7-6-12(8-13(14)15(18)19)22(20,21)16-9-10(2)3/h6-8,10-11,16-17H,5,9H2,1-4H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid?
2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid has a molecular weight of 328.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 99982018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).