4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid

C19H24N2O4S — CID 120605787

IUPAC4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid
SMILESCN(C)c1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O4S/c1-21(2)17-9-6-10-18(14-17)26(24,25)20-16(11-12-19(22)23)13-15-7-4-3-5-8-15/h3-10,14,16,20H,11-13H2,1-2H3,(H,22,23)
InChIKeyDJJLITMJXANMMV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.51
Rot. Bonds9

About 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid

4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid (PubChem CID 120605787) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid
PubChem CID120605787
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid
SMILESCN(C)c1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O4S/c1-21(2)17-9-6-10-18(14-17)26(24,25)20-16(11-12-19(22)23)13-15-7-4-3-5-8-15/h3-10,14,16,20H,11-13H2,1-2H3,(H,22,23)
InChIKeyDJJLITMJXANMMV-UHFFFAOYSA-N
XLogP2.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
CID 120728791
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640
4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid
CID 120968808
(2S)-2-(benzenesulfonamido)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 60608615
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 110673600
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-(1,3-benzodioxol-4-ylsulfonylamino)-5-phenylpentanoic acid
CID 120782389
4-[[1-cyanopropan-2-yl(methyl)sulfamoyl]amino]-5-phenylpentanoic acid
CID 122070983
4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199
[(2S,3R)-8-cyano-4-[[3-(dimethylamino)phenyl]sulfonylamino]-3-hydroxy-6,6-dimethyl-1-phenyloctan-2-yl]carbamic acid
CID 67091954
4-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120546631
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid (CID 120605787) is 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid is CN(C)c1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid?
The InChIKey is DJJLITMJXANMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-21(2)17-9-6-10-18(14-17)26(24,25)20-16(11-12-19(22)23)13-15-7-4-3-5-8-15/h3-10,14,16,20H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid?
4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid has a molecular weight of 376.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120605787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).