(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

C24H25NO5S — CID 18226800

IUPAC(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO5S/c1-2-29-22-12-14-23(15-13-22)31(27,28)25-17-16-24(26)30-18-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-15,25H,2,16-18H2,1H3
InChIKeyJLEVQCQDUDTEMN-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.16
Rot. Bonds10

About (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (PubChem CID 18226800) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
PubChem CID18226800
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO5S/c1-2-29-22-12-14-23(15-13-22)31(27,28)25-17-16-24(26)30-18-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-15,25H,2,16-18H2,1H3
InChIKeyJLEVQCQDUDTEMN-UHFFFAOYSA-N
XLogP4.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647
2-(4-methylphenoxy)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792619
(1,3-dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
1-benzothiophen-3-ylmethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 55884702
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CID 18226800) is (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The InChIKey is JLEVQCQDUDTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-2-29-22-12-14-23(15-13-22)31(27,28)25-17-16-24(26)30-18-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-15,25H,2,16-18H2,1H3.
What are the key properties of (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate has a molecular weight of 439.53 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 18226800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).