2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid

C14H20N2O5S — CID 120523197

IUPAC2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-3-9-22(20,21)16-12-8-6-5-7-10(12)13(17)15-11(4-2)14(18)19/h5-8,11,16H,3-4,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCCUOIQBBULERRH-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.43
Rot. Bonds8

About 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid

2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid (PubChem CID 120523197) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
PubChem CID120523197
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)C(=O)O
InChIInChI=1S/C14H20N2O5S/c1-3-9-22(20,21)16-12-8-6-5-7-10(12)13(17)15-11(4-2)14(18)19/h5-8,11,16H,3-4,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCCUOIQBBULERRH-UHFFFAOYSA-N
XLogP1.43
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 119943359
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522
2-[[2-(ethylsulfonylamino)benzoyl]amino]propanoic acid
CID 119225575
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-methyl-3-[methyl-[2-(propylsulfonylamino)benzoyl]amino]propanoic acid
CID 120524169
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
CID 43653866
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid (CID 120523197) is 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid is CCCS(=O)(=O)Nc1ccccc1C(=O)NC(CC)C(=O)O.
What is the InChIKey of 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid?
The InChIKey is CCUOIQBBULERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-9-22(20,21)16-12-8-6-5-7-10(12)13(17)15-11(4-2)14(18)19/h5-8,11,16H,3-4,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid?
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid has a molecular weight of 328.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid is sourced from PubChem (CID 120523197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).