[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate

C32H32N2O6S — CID 156698255

IUPAC[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESCOc1ccc(S(=O)(=O)N[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H32N2O6S/c1-39-28-17-19-29(20-18-28)41(37,38)34-27(21-24-11-5-2-6-12-24)23-40-32(36)30(22-25-13-7-3-8-14-25)33-31(35)26-15-9-4-10-16-26/h2-20,27,30,34H,21-23H2,1H3,(H,33,35)/t27-,30-/m0/s1
InChIKeyVADZUFRYAWJGNW-FIBWVYCGSA-N
MW572.68 g/mol
LogP4.17
Rot. Bonds13

About [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate

[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 156698255) has the molecular formula C32H32N2O6S and a molecular weight of 572.68 g/mol. Its IUPAC name is [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
PubChem CID156698255
Molecular FormulaC32H32N2O6S
Molecular Weight572.68 g/mol
Exact Mass572.20
IUPAC Name[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
SMILESCOc1ccc(S(=O)(=O)N[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H32N2O6S/c1-39-28-17-19-29(20-18-28)41(37,38)34-27(21-24-11-5-2-6-12-24)23-40-32(36)30(22-25-13-7-3-8-14-25)33-31(35)26-15-9-4-10-16-26/h2-20,27,30,34H,21-23H2,1H3,(H,33,35)/t27-,30-/m0/s1
InChIKeyVADZUFRYAWJGNW-FIBWVYCGSA-N
XLogP4.17
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.68
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 156698270
[(2R)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 151435592
[(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
CID 156698276
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592
methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 55936701
[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57393139
[(2R)-2-benzamido-3-phenylpropyl] (2S)-2-[(2-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 150330991
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate (CID 156698255) is [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate is COc1ccc(S(=O)(=O)N[C@H](COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is VADZUFRYAWJGNW-FIBWVYCGSA-N. The full InChI is InChI=1S/C32H32N2O6S/c1-39-28-17-19-29(20-18-28)41(37,38)34-27(21-24-11-5-2-6-12-24)23-40-32(36)30(22-25-13-7-3-8-14-25)33-31(35)26-15-9-4-10-16-26/h2-20,27,30,34H,21-23H2,1H3,(H,33,35)/t27-,30-/m0/s1.
What are the key properties of [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate?
[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 572.68 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 156698255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).