N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C24H26N2O6S — CID 126150148

IUPACN-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O6S/c1-17(18-7-5-4-6-8-18)26-33(28,29)21-12-10-20(11-13-21)32-16-24(27)25-19-9-14-22(30-2)23(15-19)31-3/h4-15,17,26H,16H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyNTDFWEHZQXUTMN-KRWDZBQOSA-N
MW470.55 g/mol
LogP3.76
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 126150148) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID126150148
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H26N2O6S/c1-17(18-7-5-4-6-8-18)26-33(28,29)21-12-10-20(11-13-21)32-16-24(27)25-19-9-14-22(30-2)23(15-19)31-3/h4-15,17,26H,16H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyNTDFWEHZQXUTMN-KRWDZBQOSA-N
XLogP3.76
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126152181
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 42563714
N-(3-acetylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1314176
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 94861614
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
N-(2,6-dimethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126133986

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 126150148) is N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is NTDFWEHZQXUTMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-17(18-7-5-4-6-8-18)26-33(28,29)21-12-10-20(11-13-21)32-16-24(27)25-19-9-14-22(30-2)23(15-19)31-3/h4-15,17,26H,16H2,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126150148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).