(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid

C19H23NO5S — CID 122069465

IUPAC(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1C(C)C
InChIInChI=1S/C19H23NO5S/c1-12(2)15-11-17(13(3)10-16(15)25-4)26(23,24)20-18(19(21)22)14-8-6-5-7-9-14/h5-12,18,20H,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyBVUULRRBTPICOR-GOSISDBHSA-N
MW377.46 g/mol
LogP3.23
Rot. Bonds7

About (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid

(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 122069465) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID122069465
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1C(C)C
InChIInChI=1S/C19H23NO5S/c1-12(2)15-11-17(13(3)10-16(15)25-4)26(23,24)20-18(19(21)22)14-8-6-5-7-9-14/h5-12,18,20H,1-4H3,(H,21,22)/t18-/m1/s1
InChIKeyBVUULRRBTPICOR-GOSISDBHSA-N
XLogP3.23
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 100647223
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
CID 100508887
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid (CID 122069465) is (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid is COc1cc(C)c(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1C(C)C.
What is the InChIKey of (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is BVUULRRBTPICOR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-12(2)15-11-17(13(3)10-16(15)25-4)26(23,24)20-18(19(21)22)14-8-6-5-7-9-14/h5-12,18,20H,1-4H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid?
(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 377.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 122069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).