2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

C22H18ClF3N2O4S2 — CID 87418310

IUPAC2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(F)cc1F)c1cccc(Cl)c1S(=O)(=O)C1CCCC1
InChIInChI=1S/C22H18ClF3N2O4S2/c23-15-7-3-6-14(20(15)34(30,31)13-4-1-2-5-13)19(21(29)28-22-27-11-18(26)33-22)32-17-9-8-12(24)10-16(17)25/h3,6-11,13,19H,1-2,4-5H2,(H,27,28,29)
InChIKeyJYRXMQFDPPWZIV-UHFFFAOYSA-N
MW530.98 g/mol
LogP5.69
Rot. Bonds7

About 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (PubChem CID 87418310) has the molecular formula C22H18ClF3N2O4S2 and a molecular weight of 530.98 g/mol. Its IUPAC name is 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
PubChem CID87418310
Molecular FormulaC22H18ClF3N2O4S2
Molecular Weight530.98 g/mol
Exact Mass530.03
IUPAC Name2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(F)cc1F)c1cccc(Cl)c1S(=O)(=O)C1CCCC1
InChIInChI=1S/C22H18ClF3N2O4S2/c23-15-7-3-6-14(20(15)34(30,31)13-4-1-2-5-13)19(21(29)28-22-27-11-18(26)33-22)32-17-9-8-12(24)10-16(17)25/h3,6-11,13,19H,1-2,4-5H2,(H,27,28,29)
InChIKeyJYRXMQFDPPWZIV-UHFFFAOYSA-N
XLogP5.69
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.98
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[5-chloro-2-[[2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 87571187
2-(3-chloro-4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
CID 25262437
2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 56592435
2-[[2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazole-4-carboxylic acid
CID 87418162
2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 68776344
N-(5-chloro-4-propyl-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 143788266
[5-chloro-2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate
CID 25261033
2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
CID 87572242
2-[2-[[2-(4-cyclohexylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87571465
N-(4-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 87075929
methyl 4-[[2-[[2-(2,4-difluorophenoxy)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoate
CID 56592787
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 25262588

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (CID 87418310) is 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is O=C(Nc1ncc(F)s1)C(Oc1ccc(F)cc1F)c1cccc(Cl)c1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The InChIKey is JYRXMQFDPPWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S2/c23-15-7-3-6-14(20(15)34(30,31)13-4-1-2-5-13)19(21(29)28-22-27-11-18(26)33-22)32-17-9-8-12(24)10-16(17)25/h3,6-11,13,19H,1-2,4-5H2,(H,27,28,29).
What are the key properties of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide has a molecular weight of 530.98 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 87418310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).