3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid

C16H24N2O5S — CID 119207158

IUPAC3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N(CCC(=O)O)C(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-11(2)17-24(22,23)14-7-5-6-13(10-14)16(21)18(12(3)4)9-8-15(19)20/h5-7,10-12,17H,8-9H2,1-4H3,(H,19,20)
InChIKeyACTXBOBDEBRPPA-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.70
Rot. Bonds8

About 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid

3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid (PubChem CID 119207158) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
PubChem CID119207158
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N(CCC(=O)O)C(C)C)c1
InChIInChI=1S/C16H24N2O5S/c1-11(2)17-24(22,23)14-7-5-6-13(10-14)16(21)18(12(3)4)9-8-15(19)20/h5-7,10-12,17H,8-9H2,1-4H3,(H,19,20)
InChIKeyACTXBOBDEBRPPA-UHFFFAOYSA-N
XLogP1.70
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

3-[[3-(benzenesulfonamido)benzoyl]-propan-2-ylamino]propanoic acid
CID 119206826
N-(2-chloroethyl)-3-methylsulfonyl-N-propan-2-ylbenzamide
CID 63393933
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119655982
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26619244

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid (CID 119207158) is 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid is CC(C)NS(=O)(=O)c1cccc(C(=O)N(CCC(=O)O)C(C)C)c1.
What is the InChIKey of 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
The InChIKey is ACTXBOBDEBRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-11(2)17-24(22,23)14-7-5-6-13(10-14)16(21)18(12(3)4)9-8-15(19)20/h5-7,10-12,17H,8-9H2,1-4H3,(H,19,20).
What are the key properties of 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid?
3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid has a molecular weight of 356.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119207158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).