(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid

C19H22N2O5S — CID 119367792

IUPAC(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(25,26)16-12-10-15(11-13-16)18(22)20-17(19(23)24)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3,(H,20,22)(H,23,24)/t17-/m1/s1
InChIKeyXPRMKZAGLYTCHV-QGZVFWFLSA-N
MW390.46 g/mol
LogP2.27
Rot. Bonds8

About (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid

(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid (PubChem CID 119367792) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
PubChem CID119367792
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-21(4-2)27(25,26)16-12-10-15(11-13-16)18(22)20-17(19(23)24)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3,(H,20,22)(H,23,24)/t17-/m1/s1
InChIKeyXPRMKZAGLYTCHV-QGZVFWFLSA-N
XLogP2.27
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928237
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119113387
2-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methoxybutanoic acid
CID 120702262
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
(2S)-2-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylacetic acid
CID 119372250
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
CID 55779161
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid (CID 119367792) is (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid is CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
The InChIKey is XPRMKZAGLYTCHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-21(4-2)27(25,26)16-12-10-15(11-13-16)18(22)20-17(19(23)24)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3,(H,20,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid has a molecular weight of 390.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).