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

C26H30N2O6S — CID 42563714

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C26H30N2O6S/c1-19(21-7-5-4-6-8-21)28-35(30,31)23-12-10-22(11-13-23)34-18-26(29)27-16-15-20-9-14-24(32-2)25(17-20)33-3/h4-14,17,19,28H,15-16,18H2,1-3H3,(H,27,29)/t19-/m0/s1
InChIKeyQFPIXHCVYLXXPP-IBGZPJMESA-N
MW498.60 g/mol
LogP3.48
Rot. Bonds12

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 42563714) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID42563714
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C26H30N2O6S/c1-19(21-7-5-4-6-8-21)28-35(30,31)23-12-10-22(11-13-23)34-18-26(29)27-16-15-20-9-14-24(32-2)25(17-20)33-3/h4-14,17,19,28H,15-16,18H2,1-3H3,(H,27,29)/t19-/m0/s1
InChIKeyQFPIXHCVYLXXPP-IBGZPJMESA-N
XLogP3.48
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4197939
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552303
N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126150148
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
N-(2-methoxyethyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4548292
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
N-[(4-methylphenyl)methyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4270828
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 7320182
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126149238
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 42563714) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is QFPIXHCVYLXXPP-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-19(21-7-5-4-6-8-21)28-35(30,31)23-12-10-22(11-13-23)34-18-26(29)27-16-15-20-9-14-24(32-2)25(17-20)33-3/h4-14,17,19,28H,15-16,18H2,1-3H3,(H,27,29)/t19-/m0/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 498.60 g/mol, XLogP of 3.48, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 42563714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).