(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide

C22H20FNO2S — CID 7228798

IUPAC(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H20FNO2S/c1-2-26-20-11-7-6-10-19(20)24-22(25)21(16-8-4-3-5-9-16)27-18-14-12-17(23)13-15-18/h3-15,21H,2H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyKQRPTBKNRKHPAA-OAQYLSRUSA-N
MW381.47 g/mol
LogP5.70
Rot. Bonds7

About (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide

(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide (PubChem CID 7228798) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
PubChem CID7228798
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C22H20FNO2S/c1-2-26-20-11-7-6-10-19(20)24-22(25)21(16-8-4-3-5-9-16)27-18-14-12-17(23)13-15-18/h3-15,21H,2H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyKQRPTBKNRKHPAA-OAQYLSRUSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 23101245
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 21167349
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16572356
2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 19059621
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539497
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21168074
N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
CID 56583498
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide (CID 7228798) is (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide?
The InChIKey is KQRPTBKNRKHPAA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20FNO2S/c1-2-26-20-11-7-6-10-19(20)24-22(25)21(16-8-4-3-5-9-16)27-18-14-12-17(23)13-15-18/h3-15,21H,2H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide?
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide has a molecular weight of 381.47 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 7228798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).