(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide

C22H20Cl2N2O5S — CID 29418557

IUPAC(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O5S/c1-14(31-21-6-4-3-5-20(21)30-2)22(27)25-17-7-9-19(10-8-17)32(28,29)26-18-12-15(23)11-16(24)13-18/h3-14,26H,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyMMUMUGIIPKIBHX-AWEZNQCLSA-N
MW495.38 g/mol
LogP5.21
Rot. Bonds8

About (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide

(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 29418557) has the molecular formula C22H20Cl2N2O5S and a molecular weight of 495.38 g/mol. Its IUPAC name is (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide
PubChem CID29418557
Molecular FormulaC22H20Cl2N2O5S
Molecular Weight495.38 g/mol
Exact Mass494.05
IUPAC Name(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O5S/c1-14(31-21-6-4-3-5-20(21)30-2)22(27)25-17-7-9-19(10-8-17)32(28,29)26-18-12-15(23)11-16(24)13-18/h3-14,26H,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyMMUMUGIIPKIBHX-AWEZNQCLSA-N
XLogP5.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17069700
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
2-(2-chlorophenoxy)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 132673275
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 94012774
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 17069604
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-fluorophenoxy)propanamide
CID 21366794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide (CID 29418557) is (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is MMUMUGIIPKIBHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5S/c1-14(31-21-6-4-3-5-20(21)30-2)22(27)25-17-7-9-19(10-8-17)32(28,29)26-18-12-15(23)11-16(24)13-18/h3-14,26H,1-2H3,(H,25,27)/t14-/m0/s1.
What are the key properties of (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide?
(2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 495.38 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 29418557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).