4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid

C19H23NO5S — CID 120728791

IUPAC4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
SMILESCCOc1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO5S/c1-2-25-17-9-6-10-18(14-17)26(23,24)20-16(11-12-19(21)22)13-15-7-4-3-5-8-15/h3-10,14,16,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyCBHRCPQSVUOLJH-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.84
Rot. Bonds10

About 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid

4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid (PubChem CID 120728791) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
PubChem CID120728791
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
SMILESCCOc1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO5S/c1-2-25-17-9-6-10-18(14-17)26(23,24)20-16(11-12-19(21)22)13-15-7-4-3-5-8-15/h3-10,14,16,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyCBHRCPQSVUOLJH-UHFFFAOYSA-N
XLogP2.84
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylamino)phenyl]sulfonylamino]-5-phenylpentanoic acid
CID 120605787
4-(furan-3-ylsulfonylamino)-5-phenylpentanoic acid
CID 120968808
(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide
CID 124742237
2-[(3-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 4075518
3-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 110673600
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
4-(1,3-benzodioxol-4-ylsulfonylamino)-5-phenylpentanoic acid
CID 120782389

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid (CID 120728791) is 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid is CCOc1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid?
The InChIKey is CBHRCPQSVUOLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-2-25-17-9-6-10-18(14-17)26(23,24)20-16(11-12-19(21)22)13-15-7-4-3-5-8-15/h3-10,14,16,20H,2,11-13H2,1H3,(H,21,22).
What are the key properties of 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid?
4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid has a molecular weight of 377.46 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120728791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).