(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid

C14H20N2O5S — CID 119372250

IUPAC(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O5S/c1-3-16(4-2)22(20,21)10-12(17)15-13(14(18)19)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)(H,18,19)/t13-/m0/s1
InChIKeyACMQXDBTFLHUPD-ZDUSSCGKSA-N
MW328.39 g/mol
LogP0.60
Rot. Bonds8

About (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid

(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid (PubChem CID 119372250) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
PubChem CID119372250
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O5S/c1-3-16(4-2)22(20,21)10-12(17)15-13(14(18)19)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)(H,18,19)/t13-/m0/s1
InChIKeyACMQXDBTFLHUPD-ZDUSSCGKSA-N
XLogP0.60
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254729
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid (CID 119372250) is (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid is CCN(CC)S(=O)(=O)CC(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is ACMQXDBTFLHUPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-16(4-2)22(20,21)10-12(17)15-13(14(18)19)11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3,(H,15,17)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 328.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119372250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).