ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate

C18H19F2NO5S — CID 55914953

IUPACethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(OC)c1
InChIInChI=1S/C18H19F2NO5S/c1-3-26-18(22)11-17(12-5-4-6-13(9-12)25-2)21-27(23,24)14-7-8-15(19)16(20)10-14/h4-10,17,21H,3,11H2,1-2H3
InChIKeyBNYOBKKCRLVLBW-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.95
Rot. Bonds8

About ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate (PubChem CID 55914953) has the molecular formula C18H19F2NO5S and a molecular weight of 399.42 g/mol. Its IUPAC name is ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate
PubChem CID55914953
Molecular FormulaC18H19F2NO5S
Molecular Weight399.42 g/mol
Exact Mass399.10
IUPAC Nameethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(OC)c1
InChIInChI=1S/C18H19F2NO5S/c1-3-26-18(22)11-17(12-5-4-6-13(9-12)25-2)21-27(23,24)14-7-8-15(19)16(20)10-14/h4-10,17,21H,3,11H2,1-2H3
InChIKeyBNYOBKKCRLVLBW-UHFFFAOYSA-N
XLogP2.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 3-[(4-chloro-3-methoxyphenyl)sulfonylamino]-3-(4-methoxyphenyl)propanoate
CID 3631613
ethyl (3S)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-3-[3-(trifluoromethyl)phenyl]propanoate
CID 164861953
ethyl 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55878086
ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
CID 47926217
methyl 3-(3-bromophenyl)-3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 60602682
ethyl 3-(3-methoxyphenyl)-3-[(4-nitrophenyl)methylsulfonylamino]propanoate
CID 56568203
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876804
ethyl 3-[(3-fluoro-4-methyl-5-nitrobenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55878610
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate (CID 55914953) is ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is BNYOBKKCRLVLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO5S/c1-3-26-18(22)11-17(12-5-4-6-13(9-12)25-2)21-27(23,24)14-7-8-15(19)16(20)10-14/h4-10,17,21H,3,11H2,1-2H3.
What are the key properties of ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 399.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,4-difluorophenyl)sulfonylamino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 55914953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).