2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid

C25H24N2O5S — CID 70352178

IUPAC2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(CCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H24N2O5S/c1-18(25(28)29)27-17-19(23-9-5-6-10-24(23)27)15-16-26-33(30,31)22-13-11-21(12-14-22)32-20-7-3-2-4-8-20/h2-14,17-18,26H,15-16H2,1H3,(H,28,29)
InChIKeyCZIXGRRGHVXFQG-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.60
Rot. Bonds9

About 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid

2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid (PubChem CID 70352178) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid
PubChem CID70352178
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(CCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C25H24N2O5S/c1-18(25(28)29)27-17-19(23-9-5-6-10-24(23)27)15-16-26-33(30,31)22-13-11-21(12-14-22)32-20-7-3-2-4-8-20/h2-14,17-18,26H,15-16H2,1H3,(H,28,29)
InChIKeyCZIXGRRGHVXFQG-UHFFFAOYSA-N
XLogP4.60
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid
CID 46865154
methyl 2-(1-propan-2-ylindol-3-yl)acetate
CID 139389299
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
CID 57323122
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
tert-butyl N-[5-[(4-phenoxyphenyl)sulfonylamino]pentyl]carbamate
CID 66727891
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 7150790
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid (CID 70352178) is 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid is CC(C(=O)O)n1cc(CCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid?
The InChIKey is CZIXGRRGHVXFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-18(25(28)29)27-17-19(23-9-5-6-10-24(23)27)15-16-26-33(30,31)22-13-11-21(12-14-22)32-20-7-3-2-4-8-20/h2-14,17-18,26H,15-16H2,1H3,(H,28,29).
What are the key properties of 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid?
2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid has a molecular weight of 464.54 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(4-phenoxyphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid is sourced from PubChem (CID 70352178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).