N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide

C20H20FN3O4S2 — CID 27376786

IUPACN-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O4S2/c1-2-28-17-8-5-15(6-9-17)22-19(25)12-7-16-13-29-20(23-16)24-30(26,27)18-10-3-14(21)4-11-18/h3-6,8-11,13H,2,7,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyXWDQOSBKVBCDKV-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.05
Rot. Bonds9

About N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide

N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 27376786) has the molecular formula C20H20FN3O4S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID27376786
Molecular FormulaC20H20FN3O4S2
Molecular Weight449.53 g/mol
Exact Mass449.09
IUPAC NameN-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O4S2/c1-2-28-17-8-5-15(6-9-17)22-19(25)12-7-16-13-29-20(23-16)24-30(26,27)18-10-3-14(21)4-11-18/h3-6,8-11,13H,2,7,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyXWDQOSBKVBCDKV-UHFFFAOYSA-N
XLogP4.05
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide (CID 27376786) is N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide is CCOc1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is XWDQOSBKVBCDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S2/c1-2-28-17-8-5-15(6-9-17)22-19(25)12-7-16-13-29-20(23-16)24-30(26,27)18-10-3-14(21)4-11-18/h3-6,8-11,13H,2,7,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide?
N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 449.53 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27376786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).