methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate

C19H23NO5S — CID 110504250

IUPACmethyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23NO5S/c1-14(2)25-16-9-11-17(12-10-16)26(22,23)20-18(19(21)24-3)13-15-7-5-4-6-8-15/h4-12,14,18,20H,13H2,1-3H3
InChIKeyMOTJHWARNBUPRF-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.54
Rot. Bonds8

About methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate

methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate (PubChem CID 110504250) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
PubChem CID110504250
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namemethyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23NO5S/c1-14(2)25-16-9-11-17(12-10-16)26(22,23)20-18(19(21)24-3)13-15-7-5-4-6-8-15/h4-12,14,18,20H,13H2,1-3H3
InChIKeyMOTJHWARNBUPRF-UHFFFAOYSA-N
XLogP2.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
methyl 2-[[2-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 55936701
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
methyl (2S)-3-(4-nitrophenyl)-2-[(4-nitrophenyl)sulfonylamino]propanoate
CID 86631884

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate (CID 110504250) is methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate is COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate?
The InChIKey is MOTJHWARNBUPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14(2)25-16-9-11-17(12-10-16)26(22,23)20-18(19(21)24-3)13-15-7-5-4-6-8-15/h4-12,14,18,20H,13H2,1-3H3.
What are the key properties of methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate?
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate has a molecular weight of 377.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 110504250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).