2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C25H28N2O5S — CID 28553351

IUPAC2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)27-33(29,30)21-13-11-20(12-14-21)32-16-25(28)26-19(3)22-7-5-6-8-24(22)31-4/h5-15,19,27H,16H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeySMONUPMNLWNIGW-IBGZPJMESA-N
MW468.58 g/mol
LogP4.37
Rot. Bonds9

About 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28553351) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28553351
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)27-33(29,30)21-13-11-20(12-14-21)32-16-25(28)26-19(3)22-7-5-6-8-24(22)31-4/h5-15,19,27H,16H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeySMONUPMNLWNIGW-IBGZPJMESA-N
XLogP4.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906343
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 4580368
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401871
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906341
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552888
2-[4-(2-methoxyethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873475
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873243
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28551884
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28555736

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28553351) is 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is SMONUPMNLWNIGW-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)27-33(29,30)21-13-11-20(12-14-21)32-16-25(28)26-19(3)22-7-5-6-8-24(22)31-4/h5-15,19,27H,16H2,1-4H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28553351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).