(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid

C19H22N2O6S — CID 11761293

IUPAC(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(O[11CH3])cc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O6S/c1-12(2)17(19(23)24)21-28(25,26)16-10-6-14(7-11-16)20-18(22)13-4-8-15(27-3)9-5-13/h4-12,17,21H,1-3H3,(H,20,22)(H,23,24)/t17-/m1/s1/i3-1
InChIKeyZZEXJLFHXHHYNW-FAUQPBOCSA-N
MW405.46 g/mol
LogP2.34
Rot. Bonds8

About (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid

(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid (PubChem CID 11761293) has the molecular formula C19H22N2O6S and a molecular weight of 405.46 g/mol. Its IUPAC name is (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
PubChem CID11761293
Molecular FormulaC19H22N2O6S
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC Name(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(O[11CH3])cc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O6S/c1-12(2)17(19(23)24)21-28(25,26)16-10-6-14(7-11-16)20-18(22)13-4-8-15(27-3)9-5-13/h4-12,17,21H,1-3H3,(H,20,22)(H,23,24)/t17-/m1/s1/i3-1
InChIKeyZZEXJLFHXHHYNW-FAUQPBOCSA-N
XLogP2.34
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PG-116800
CID 9848869
2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
4-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 1968441
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxochromene-6-carboxamide
CID 155924777
3-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168276560
Anti-Influenza agent 4
CID 4156245
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5213203
N-[4-(aminosulfonyl)phenyl]-4-(tetrahydro-2-furanylmethoxy)benzamide
CID 16293856
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-3-(4-ethoxyphenyl)propanoate
CID 3243338
ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54676164

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid (CID 11761293) is (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(O[11CH3])cc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid?
The InChIKey is ZZEXJLFHXHHYNW-FAUQPBOCSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-12(2)17(19(23)24)21-28(25,26)16-10-6-14(7-11-16)20-18(22)13-4-8-15(27-3)9-5-13/h4-12,17,21H,1-3H3,(H,20,22)(H,23,24)/t17-/m1/s1/i3-1.
What are the key properties of (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid has a molecular weight of 405.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 11761293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).