2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid

C16H24N2O5S — CID 119204732

IUPAC2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC(C)CC)cc1
InChIInChI=1S/C16H24N2O5S/c1-4-10-18(11-15(19)20)16(21)13-6-8-14(9-7-13)24(22,23)17-12(3)5-2/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyDJAYJKAGZMLVBD-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.70
Rot. Bonds9

About 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid

2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid (PubChem CID 119204732) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
PubChem CID119204732
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC(C)CC)cc1
InChIInChI=1S/C16H24N2O5S/c1-4-10-18(11-15(19)20)16(21)13-6-8-14(9-7-13)24(22,23)17-12(3)5-2/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyDJAYJKAGZMLVBD-UHFFFAOYSA-N
XLogP1.70
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192606
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
CID 61013289
1-N-butan-2-yl-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109044096

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid (CID 119204732) is 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NC(C)CC)cc1.
What is the InChIKey of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid?
The InChIKey is DJAYJKAGZMLVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-10-18(11-15(19)20)16(21)13-6-8-14(9-7-13)24(22,23)17-12(3)5-2/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid?
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid has a molecular weight of 356.44 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid is sourced from PubChem (CID 119204732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).