(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide

C23H23FN2O4S — CID 92646395

IUPAC(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-3-17-6-4-5-7-22(17)30-16(2)23(27)25-19-12-14-21(15-13-19)31(28,29)26-20-10-8-18(24)9-11-20/h4-16,26H,3H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyRZDKRHGCWYJYRQ-INIZCTEOSA-N
MW442.51 g/mol
LogP4.59
Rot. Bonds8

About (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide

(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide (PubChem CID 92646395) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
PubChem CID92646395
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-3-17-6-4-5-7-22(17)30-16(2)23(27)25-19-12-14-21(15-13-19)31(28,29)26-20-10-8-18(24)9-11-20/h4-16,26H,3H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyRZDKRHGCWYJYRQ-INIZCTEOSA-N
XLogP4.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(2-ethylphenoxy)propanamide
CID 43915601
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 28570993
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 132673275
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide (CID 92646395) is (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is RZDKRHGCWYJYRQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-3-17-6-4-5-7-22(17)30-16(2)23(27)25-19-12-14-21(15-13-19)31(28,29)26-20-10-8-18(24)9-11-20/h4-16,26H,3H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide?
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 442.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 92646395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).