[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate

C19H22N2O5S — CID 9061289

IUPAC[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-8-10-17(11-9-14)27(24,25)21-12-18(22)20-13-19(23)26-15(2)16-6-4-3-5-7-16/h3-11,15,21H,12-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyNZXVBBMCDMMSJP-OAHLLOKOSA-N
MW390.46 g/mol
LogP1.69
Rot. Bonds8

About [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate

[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate (PubChem CID 9061289) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
PubChem CID9061289
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-8-10-17(11-9-14)27(24,25)21-12-18(22)20-13-19(23)26-15(2)16-6-4-3-5-7-16/h3-11,15,21H,12-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyNZXVBBMCDMMSJP-OAHLLOKOSA-N
XLogP1.69
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate with MolForge

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Related Compounds

benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331100
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41331010
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 8643953
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 41330698
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55317040
(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061287
N-[1-(2-bromophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24544760
N-[(1R)-1-(4-methylphenyl)propyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9155582
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The IUPAC name of [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate (CID 9061289) is [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.
What is the SMILES notation for [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The canonical SMILES for [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O[C@H](C)c2ccccc2)cc1.
What is the InChIKey of [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
The InChIKey is NZXVBBMCDMMSJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-8-10-17(11-9-14)27(24,25)21-12-18(22)20-13-19(23)26-15(2)16-6-4-3-5-7-16/h3-11,15,21H,12-13H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate?
[(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate has a molecular weight of 390.46 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate is sourced from PubChem (CID 9061289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).