(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate

C19H22NO4S- — CID 6972924

IUPAC(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-14(2)15-9-11-17(12-10-15)25(23,24)20-18(13-19(21)22)16-7-5-4-6-8-16/h4-12,14,18,20H,3,13H2,1-2H3,(H,21,22)/p-1/t14-,18-/m1/s1
InChIKeySHUXNVFVAPHKMG-RDTXWAMCSA-M
MW360.46 g/mol
LogP2.36
Rot. Bonds8

About (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate

(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate (PubChem CID 6972924) has the molecular formula C19H22NO4S- and a molecular weight of 360.46 g/mol. Its IUPAC name is (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
PubChem CID6972924
Molecular FormulaC19H22NO4S-
Molecular Weight360.46 g/mol
Exact Mass360.13
IUPAC Name(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-14(2)15-9-11-17(12-10-15)25(23,24)20-18(13-19(21)22)16-7-5-4-6-8-16/h4-12,14,18,20H,3,13H2,1-2H3,(H,21,22)/p-1/t14-,18-/m1/s1
InChIKeySHUXNVFVAPHKMG-RDTXWAMCSA-M
XLogP2.36
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 22602745
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 2459105
(3S)-3-phenylbutanoate
CID 6950118
methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
CID 7323445

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate?
The IUPAC name of (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate (CID 6972924) is (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate is CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1.
What is the InChIKey of (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate?
The InChIKey is SHUXNVFVAPHKMG-RDTXWAMCSA-M. The full InChI is InChI=1S/C19H23NO4S/c1-3-14(2)15-9-11-17(12-10-15)25(23,24)20-18(13-19(21)22)16-7-5-4-6-8-16/h4-12,14,18,20H,3,13H2,1-2H3,(H,21,22)/p-1/t14-,18-/m1/s1.
What are the key properties of (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate?
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate has a molecular weight of 360.46 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 6972924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).