2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide

C24H25ClN2O5S — CID 124549037

IUPAC2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C24H25ClN2O5S/c1-16-9-11-23(31-3)21(13-16)26-24(28)15-32-22-12-10-19(14-20(22)25)33(29,30)27-17(2)18-7-5-4-6-8-18/h4-14,17,27H,15H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyLZCJHOZRTHBZAV-QGZVFWFLSA-N
MW488.99 g/mol
LogP4.71
Rot. Bonds9

About 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 124549037) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID124549037
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C24H25ClN2O5S/c1-16-9-11-23(31-3)21(13-16)26-24(28)15-32-22-12-10-19(14-20(22)25)33(29,30)27-17(2)18-7-5-4-6-8-18/h4-14,17,27H,15H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyLZCJHOZRTHBZAV-QGZVFWFLSA-N
XLogP4.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide (CID 124549037) is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is LZCJHOZRTHBZAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-16-9-11-23(31-3)21(13-16)26-24(28)15-32-22-12-10-19(14-20(22)25)33(29,30)27-17(2)18-7-5-4-6-8-18/h4-14,17,27H,15H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 488.99 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 124549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).