methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate

C29H24N2O5S — CID 10301233

IUPACmethyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C29H24N2O5S/c1-35-29(32)26(17-20-7-3-2-4-8-20)31-37(33,34)25-15-13-22(14-16-25)28-30-19-27(36-28)24-12-11-21-9-5-6-10-23(21)18-24/h2-16,18-19,26,31H,17H2,1H3
InChIKeyMFALTZYHQQZDEB-UHFFFAOYSA-N
MW512.59 g/mol
LogP5.22
Rot. Bonds8

About methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate

methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate (PubChem CID 10301233) has the molecular formula C29H24N2O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate
PubChem CID10301233
Molecular FormulaC29H24N2O5S
Molecular Weight512.59 g/mol
Exact Mass512.14
IUPAC Namemethyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C29H24N2O5S/c1-35-29(32)26(17-20-7-3-2-4-8-20)31-37(33,34)25-15-13-22(14-16-25)28-30-19-27(36-28)24-12-11-21-9-5-6-10-23(21)18-24/h2-16,18-19,26,31H,17H2,1H3
InChIKeyMFALTZYHQQZDEB-UHFFFAOYSA-N
XLogP5.22
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
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 (2R)-3-(1H-indol-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 177422930
methyl (2S)-3-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 122404349
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate (CID 10301233) is methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1.
What is the InChIKey of methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate?
The InChIKey is MFALTZYHQQZDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5S/c1-35-29(32)26(17-20-7-3-2-4-8-20)31-37(33,34)25-15-13-22(14-16-25)28-30-19-27(36-28)24-12-11-21-9-5-6-10-23(21)18-24/h2-16,18-19,26,31H,17H2,1H3.
What are the key properties of methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate?
methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate has a molecular weight of 512.59 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(5-naphthalen-2-yl-1,3-oxazol-2-yl)phenyl]sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 10301233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).