[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

C21H26N2O5S — CID 8890164

IUPAC[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O5S/c1-14-6-9-18(10-7-14)12-22-21(25)17(4)28-20(24)13-23-29(26,27)19-11-15(2)5-8-16(19)3/h5-11,17,23H,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyUPZUPEAOPWVCES-QGZVFWFLSA-N
MW418.52 g/mol
LogP2.14
Rot. Bonds8

About [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (PubChem CID 8890164) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
PubChem CID8890164
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O5S/c1-14-6-9-18(10-7-14)12-22-21(25)17(4)28-20(24)13-23-29(26,27)19-11-15(2)5-8-16(19)3/h5-11,17,23H,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyUPZUPEAOPWVCES-QGZVFWFLSA-N
XLogP2.14
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657333
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617225
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885640
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352842
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925134
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981523
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063142
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 42968779
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (CID 8890164) is [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is UPZUPEAOPWVCES-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14-6-9-18(10-7-14)12-22-21(25)17(4)28-20(24)13-23-29(26,27)19-11-15(2)5-8-16(19)3/h5-11,17,23H,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1.
What are the key properties of [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 418.52 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8890164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).