2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid

C18H19NO5S — CID 12945846

IUPAC2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-13(20)16-6-8-17(9-7-16)25(23,24)19-11-10-14-2-4-15(5-3-14)12-18(21)22/h2-9,19H,10-12H2,1H3,(H,21,22)
InChIKeyFWWPTQWWMALLOU-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.04
Rot. Bonds8

About 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid

2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid (PubChem CID 12945846) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
PubChem CID12945846
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-13(20)16-6-8-17(9-7-16)25(23,24)19-11-10-14-2-4-15(5-3-14)12-18(21)22/h2-9,19H,10-12H2,1H3,(H,21,22)
InChIKeyFWWPTQWWMALLOU-UHFFFAOYSA-N
XLogP2.04
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
CID 166242151
2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 120602769

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid (CID 12945846) is 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid is CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid?
The InChIKey is FWWPTQWWMALLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-13(20)16-6-8-17(9-7-16)25(23,24)19-11-10-14-2-4-15(5-3-14)12-18(21)22/h2-9,19H,10-12H2,1H3,(H,21,22).
What are the key properties of 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid?
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid has a molecular weight of 361.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid is sourced from PubChem (CID 12945846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).