(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid

C16H24N2O6S — CID 122185687

IUPAC(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1
InChIInChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1
InChIKeyQGLLVAQBUYPUKB-AWEZNQCLSA-N
MW372.44 g/mol
LogP0.67
Rot. Bonds10

About (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid (PubChem CID 122185687) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
PubChem CID122185687
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1
InChIInChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1
InChIKeyQGLLVAQBUYPUKB-AWEZNQCLSA-N
XLogP0.67
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid (CID 122185687) is (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is QGLLVAQBUYPUKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 372.44 g/mol, XLogP of 0.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 122185687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).