ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate

C24H29FN2O7S — CID 19032871

IUPACethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)C(COC2CCCCO2)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H29FN2O7S/c1-2-32-22(28)15-17-6-10-19(11-7-17)26-24(29)21(16-34-23-5-3-4-14-33-23)27-35(30,31)20-12-8-18(25)9-13-20/h6-13,21,23,27H,2-5,14-16H2,1H3,(H,26,29)
InChIKeyPFLVUTVPKOBAPJ-UHFFFAOYSA-N
MW508.57 g/mol
LogP2.76
Rot. Bonds11

About ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate

ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate (PubChem CID 19032871) has the molecular formula C24H29FN2O7S and a molecular weight of 508.57 g/mol. Its IUPAC name is ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate
PubChem CID19032871
Molecular FormulaC24H29FN2O7S
Molecular Weight508.57 g/mol
Exact Mass508.17
IUPAC Nameethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)C(COC2CCCCO2)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H29FN2O7S/c1-2-32-22(28)15-17-6-10-19(11-7-17)26-24(29)21(16-34-23-5-3-4-14-33-23)27-35(30,31)20-12-8-18(25)9-13-20/h6-13,21,23,27H,2-5,14-16H2,1H3,(H,26,29)
InChIKeyPFLVUTVPKOBAPJ-UHFFFAOYSA-N
XLogP2.76
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate
CID 67706793
2-[4-[[(2S)-2-[(4-iodophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetic acid
CID 67706836
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]butanoyl]amino]phenyl]acetate
CID 67706856
ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]phenyl]acetate
CID 19032738
methyl 6-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]hexanoate
CID 67706835
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate
CID 67706855
2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-phenoxypropanoyl]amino]phenyl]acetic acid
CID 54081106
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]hexanethioyl]amino]phenyl]acetate
CID 54316364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate (CID 19032871) is ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)C(COC2CCCCO2)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate?
The InChIKey is PFLVUTVPKOBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O7S/c1-2-32-22(28)15-17-6-10-19(11-7-17)26-24(29)21(16-34-23-5-3-4-14-33-23)27-35(30,31)20-12-8-18(25)9-13-20/h6-13,21,23,27H,2-5,14-16H2,1H3,(H,26,29).
What are the key properties of ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate?
ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate has a molecular weight of 508.57 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-(oxan-2-yloxy)propanoyl]amino]phenyl]acetate is sourced from PubChem (CID 19032871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).