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

Name: 4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₃NO₅S — CID 120728791

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
PubChem CID	120728791
Molecular Formula	C₁₉H₂₃NO₅S
Molecular Weight	377.46 g/mol
Exact Mass	377.13
IUPAC Name	4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
SMILES	CCOc1cccc(S(=O)(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChI	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)
InChIKey	CBHRCPQSVUOLJH-UHFFFAOYSA-N
XLogP	2.84
TPSA	92.70 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	10
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 120728791 — identifiers, structure, computed properties (public domain)

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