2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid

C19H22N2O5S — CID 120512118

IUPAC2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-20-27(25,26)16-10-8-15(9-11-16)13-18(22)21-17(19(23)24)12-14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,21,22)(H,23,24)
InChIKeyFRZSPBUMFYPZTL-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.34
Rot. Bonds9

About 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid

2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 120512118) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid
PubChem CID120512118
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H22N2O5S/c1-2-20-27(25,26)16-10-8-15(9-11-16)13-18(22)21-17(19(23)24)12-14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,21,22)(H,23,24)
InChIKeyFRZSPBUMFYPZTL-UHFFFAOYSA-N
XLogP1.34
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
3-phenyl-2-[[(2R)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoic acid
CID 100996436
2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]butanoic acid
CID 119223415
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
methyl 2-[[2-[(4-bromophenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate
CID 3256543
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
CID 160842704
CID 160842704
(2S)-2-[[2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]acetyl]amino]-3-phenylpropanoic acid
CID 67942585

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid (CID 120512118) is 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid is CCNS(=O)(=O)c1ccc(CC(=O)NC(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is FRZSPBUMFYPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-20-27(25,26)16-10-8-15(9-11-16)13-18(22)21-17(19(23)24)12-14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid?
2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 390.46 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(ethylsulfamoyl)phenyl]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 120512118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).