(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate

C18H19FNO5S- — CID 7323445

IUPAC(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO5S/c1-2-11-25-15-7-3-13(4-8-15)17(12-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,17,20H,2,11-12H2,1H3,(H,21,22)/p-1/t17-/m0/s1
InChIKeyIRHZEFYWQJZNST-KRWDZBQOSA-M
MW380.42 g/mol
LogP1.77
Rot. Bonds9

About (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate

(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate (PubChem CID 7323445) has the molecular formula C18H19FNO5S- and a molecular weight of 380.42 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
PubChem CID7323445
Molecular FormulaC18H19FNO5S-
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO5S/c1-2-11-25-15-7-3-13(4-8-15)17(12-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,17,20H,2,11-12H2,1H3,(H,21,22)/p-1/t17-/m0/s1
InChIKeyIRHZEFYWQJZNST-KRWDZBQOSA-M
XLogP1.77
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
CID 7044809
(3R)-3-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 9119766
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
(2R)-2-(4-propoxyphenyl)butanedioate
CID 7037635
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 2459105
(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044672
3-(4-propoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 4182215
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate?
The IUPAC name of (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate (CID 7323445) is (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate.
What is the SMILES notation for (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate?
The canonical SMILES for (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate is CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate?
The InChIKey is IRHZEFYWQJZNST-KRWDZBQOSA-M. The full InChI is InChI=1S/C18H20FNO5S/c1-2-11-25-15-7-3-13(4-8-15)17(12-18(21)22)20-26(23,24)16-9-5-14(19)6-10-16/h3-10,17,20H,2,11-12H2,1H3,(H,21,22)/p-1/t17-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate?
(3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate has a molecular weight of 380.42 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoate is sourced from PubChem (CID 7323445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).